 Entering Gaussian System, Link 0=g16
 Input=NiComplex_M11_augccpVDZr.in
 Output=NiComplex_M11_augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  1.409320D+00           3.573010D-01
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            S    14   1.00
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
                  3.422081D+02           6.364650D-02
                  1.289984D+02           2.085635D-01
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                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
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                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
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            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
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            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
                  0.0348540              1.0000000
            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
                  0.0131000              1.0000000
            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
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            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
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            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
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                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
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                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Complexes_Cheeseman/Gau-8318.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Complexes_Cheeseman/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      8320.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 6-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=64GB
 %chk=NiComplex_M11_augccpVDZr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=(UltraFineGrid) SCF=(NoSymm,MaxCyc=120) Polar=ROA 
 Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Sep  6 11:32:15 2021, MaxMem=  8589934592 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "NiComplex_M11_augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  Ni                                               -0.000000000000     -0.000000000000      0.652500000000
  N                                                -0.082892000000      1.531465000000      1.779512000000
  N                                                 0.035135000000      1.258858000000     -0.736700000000
  N                                                -0.035135000000     -1.258858000000     -0.736700000000
  N                                                 0.082892000000     -1.531465000000      1.779512000000
  C                                                -0.174405000000      1.886424000000      3.066827000000
  H                                                -0.190593000000      1.149673000000      3.853964000000
  C                                                -0.246672000000      3.286447000000      3.185987000000
  H                                                -0.325652000000      3.840549000000      4.106914000000
  C                                                -0.197796000000      3.805625000000      1.891409000000
  H                                                -0.229262000000      4.843857000000      1.601943000000
  C                                                -0.097056000000      2.701930000000      1.030922000000
  C                                                -0.000000000000      2.502585000000     -0.361601000000
  H                                                 0.056610000000      3.325630000000     -1.068678000000
  C                                                 0.316614000000      0.700637000000     -2.048574000000
  H                                                 1.404478000000      0.553540000000     -2.107013000000
  C                                                -0.124490000000      1.490760000000     -3.271684000000
  H                                                 0.338173000000      2.479802000000     -3.282004000000
  H                                                -1.208016000000      1.640740000000     -3.234017000000
  C                                                 0.267203000000      0.718040000000     -4.538312000000
  H                                                 1.359244000000      0.694817000000     -4.613383000000
  H                                                -0.093288000000      1.247887000000     -5.422265000000
  C                                                -0.267203000000     -0.718040000000     -4.538312000000
  H                                                 0.093288000000     -1.247887000000     -5.422265000000
  H                                                -1.359244000000     -0.694817000000     -4.613383000000
  C                                                 0.124490000000     -1.490760000000     -3.271684000000
  H                                                 1.208016000000     -1.640740000000     -3.234017000000
  H                                                -0.338173000000     -2.479802000000     -3.282004000000
  C                                                -0.316614000000     -0.700637000000     -2.048574000000
  H                                                -1.404478000000     -0.553540000000     -2.107013000000
  C                                                -0.000000000000     -2.502585000000     -0.361601000000
  H                                                -0.056610000000     -3.325630000000     -1.068678000000
  C                                                 0.097056000000     -2.701930000000      1.030922000000
  C                                                 0.197796000000     -3.805625000000      1.891409000000
  H                                                 0.229262000000     -4.843857000000      1.601943000000
  C                                                 0.246672000000     -3.286447000000      3.185987000000
  H                                                 0.325652000000     -3.840549000000      4.106914000000
  C                                                 0.174405000000     -1.886424000000      3.066827000000
  H                                                 0.190593000000     -1.149673000000      3.853964000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     39 NQM=       39 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          58          14          14          14          14          12           1          12           1          12
 AtmWgt=  57.9353471  14.0030740  14.0030740  14.0030740  14.0030740  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000
 NucSpn=           0           2           2           2           2           0           1           0           1           0
 AtZEff=  25.4800000   4.5500000   4.5500000   4.5500000   4.5500000   3.6000000   1.0000000   3.6000000   1.0000000   3.6000000
 NQMom=    0.0000000   2.0440000   2.0440000   2.0440000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.4037610   0.4037610   0.4037610   0.4037610   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000
 AtZNuc=  28.0000000   7.0000000   7.0000000   7.0000000   7.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1          12          12           1          12           1          12           1           1          12
 AtmWgt=   1.0078250  12.0000000  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000   1.0078250   1.0078250  12.0000000
 NucSpn=           1           0           0           1           0           1           0           1           1           0
 AtZEff=   1.0000000   3.6000000   3.6000000   1.0000000   3.6000000   1.0000000   3.6000000   1.0000000   1.0000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000   2.7928460   2.7928460   0.0000000
 AtZNuc=   1.0000000   6.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000   1.0000000   1.0000000   6.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1          12           1           1          12           1           1          12           1
 AtmWgt=   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           0           1           1           0           1           1           0           1
 AtZEff=   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33          34          35          36          37          38          39
 IAtWgt=          12           1          12          12           1          12           1          12           1
 AtmWgt=  12.0000000   1.0078250  12.0000000  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000   1.0078250
 NucSpn=           0           1           0           0           1           0           1           0           1
 AtZEff=   3.6000000   1.0000000   3.6000000   3.6000000   1.0000000   3.6000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   6.0000000   1.0000000   6.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Mon Sep  6 11:32:15 2021, MaxMem=  8589934592 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         28           0       -0.000000   -0.000000    0.652500
      2          7           0       -0.082892    1.531465    1.779512
      3          7           0        0.035135    1.258858   -0.736700
      4          7           0       -0.035135   -1.258858   -0.736700
      5          7           0        0.082892   -1.531465    1.779512
      6          6           0       -0.174405    1.886424    3.066827
      7          1           0       -0.190593    1.149673    3.853964
      8          6           0       -0.246672    3.286447    3.185987
      9          1           0       -0.325652    3.840549    4.106914
     10          6           0       -0.197796    3.805625    1.891409
     11          1           0       -0.229262    4.843857    1.601943
     12          6           0       -0.097056    2.701930    1.030922
     13          6           0       -0.000000    2.502585   -0.361601
     14          1           0        0.056610    3.325630   -1.068678
     15          6           0        0.316614    0.700637   -2.048574
     16          1           0        1.404478    0.553540   -2.107013
     17          6           0       -0.124490    1.490760   -3.271684
     18          1           0        0.338173    2.479802   -3.282004
     19          1           0       -1.208016    1.640740   -3.234017
     20          6           0        0.267203    0.718040   -4.538312
     21          1           0        1.359244    0.694817   -4.613383
     22          1           0       -0.093288    1.247887   -5.422265
     23          6           0       -0.267203   -0.718040   -4.538312
     24          1           0        0.093288   -1.247887   -5.422265
     25          1           0       -1.359244   -0.694817   -4.613383
     26          6           0        0.124490   -1.490760   -3.271684
     27          1           0        1.208016   -1.640740   -3.234017
     28          1           0       -0.338173   -2.479802   -3.282004
     29          6           0       -0.316614   -0.700637   -2.048574
     30          1           0       -1.404478   -0.553540   -2.107013
     31          6           0       -0.000000   -2.502585   -0.361601
     32          1           0       -0.056610   -3.325630   -1.068678
     33          6           0        0.097056   -2.701930    1.030922
     34          6           0        0.197796   -3.805625    1.891409
     35          1           0        0.229262   -4.843857    1.601943
     36          6           0        0.246672   -3.286447    3.185987
     37          1           0        0.325652   -3.840549    4.106914
     38          6           0        0.174405   -1.886424    3.066827
     39          1           0        0.190593   -1.149673    3.853964
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Ni   0.000000
     2  N    1.903264   0.000000
     3  N    1.875056   2.533687   0.000000
     4  N    1.875056   3.757593   2.518696   0.000000
     5  N    1.903264   3.067413   3.757593   2.533687   0.000000
     6  C    3.068874   1.338488   3.860643   4.937511   3.661331
     7  H    3.406970   2.112041   4.597507   5.186462   3.400977
     8  C    4.156938   2.254985   4.424704   6.007663   5.029817
     9  H    5.175794   3.287492   5.500536   7.039101   5.868751
    10  C    4.007094   2.279809   3.667047   5.708100   5.345637
    11  H    4.941351   3.320376   4.288517   6.538354   6.385429
    12  C    2.730027   1.389452   2.285699   4.337760   4.302836
    13  C    2.700247   2.352511   1.299535   3.780263   4.567800
    14  H    3.745060   3.369076   2.093375   4.597408   5.630653
    15  C    2.808369   3.937527   1.453222   2.384190   4.437471
    16  H    3.145453   4.274773   2.061633   2.689801   4.604228
    17  C    4.199653   5.051531   2.550569   3.740926   5.889943
    18  H    4.663057   5.166777   2.839209   4.538228   6.463310
    19  H    4.388205   5.139389   2.815644   4.002488   6.071639
    20  C    5.247048   6.379587   3.846894   4.295554   6.708885
    21  H    5.482685   6.606727   4.135224   4.559584   6.888724
    22  H    6.202314   7.207365   4.687337   5.314289   7.721491
    23  C    5.247048   6.708885   4.295554   3.846894   6.379587
    24  H    6.202314   7.721491   5.314289   4.687337   7.207365
    25  H    5.482685   6.888724   4.559584   4.135224   6.606727
    26  C    4.199653   5.889943   3.740926   2.550569   5.051531
    27  H    4.388205   6.071639   4.002488   2.815644   5.139389
    28  H    4.663057   6.463310   4.538228   2.839209   5.166777
    29  C    2.808369   4.437471   2.384190   1.453222   3.937527
    30  H    3.145453   4.604228   2.689801   2.061633   4.274773
    31  C    2.700247   4.567800   3.780263   1.299535   2.352511
    32  H    3.745060   5.630653   4.597408   2.093375   3.369076
    33  C    2.730027   4.302836   4.337760   2.285699   1.389452
    34  C    4.007094   5.345637   5.708100   3.667047   2.279809
    35  H    4.941351   6.385429   6.538354   4.288517   3.320376
    36  C    4.156938   5.029817   6.007663   4.424704   2.254985
    37  H    5.175794   5.868751   7.039101   5.500536   3.287492
    38  C    3.068874   3.661331   4.937511   3.860643   1.338488
    39  H    3.406970   3.400977   5.186462   4.597507   2.112041
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.078262   0.000000
     8  C    1.406942   2.239451   0.000000
     9  H    2.218842   2.706111   1.077670   0.000000
    10  C    2.250664   3.302386   1.395660   2.219466   0.000000
    11  H    3.300804   4.326672   2.221491   2.700148   1.078289
    12  C    2.194525   3.223014   2.237934   3.287923   1.403114
    13  C    3.487720   4.431443   3.641520   4.675877   2.610190
    14  H    4.384870   5.387792   4.265641   5.215172   3.009524
    15  C    5.273947   5.941283   5.865521   6.939855   5.042721
    16  H    5.571182   6.199425   6.181499   7.239521   5.397288
    17  C    6.351044   7.134113   6.703800   7.746334   5.658755
    18  H    6.397069   7.278109   6.544282   7.542440   5.367427
    19  H    6.389785   7.177449   6.696938   7.714078   5.654844
    20  C    7.707028   8.415829   8.156321   9.210943   7.147777
    21  H    7.921971   8.620026   8.374108   9.422212   7.376572
    22  H    8.513459   9.277259   8.847670   9.878317   7.748727
    23  C    8.039278   8.597937   8.700640   9.773642   7.861913
    24  H    9.053190   9.585265   9.735387  10.810779   8.894523
    25  H    8.188545   8.744361   8.827143   9.883392   7.994702
    26  C    7.188284   7.605657   8.041205   9.114230   7.403586
    27  H    7.352048   7.744804   8.222514   9.289022   7.609809
    28  H    7.707036   8.007303   8.665616   9.723328   8.141898
    29  C    5.734146   6.187042   6.580453   7.649345   5.986984
    30  H    5.851079   6.317254   6.640923   7.686662   6.037034
    31  C    5.572067   5.580887   6.794050   7.765889   6.701395
    32  H    6.654456   6.654224   7.864977   8.843826   7.722490
    33  C    5.027086   4.784052   6.373626   7.241853   6.570818
    34  C    5.824050   5.343917   7.222947   7.977872   7.621523
    35  H    6.899675   6.416407   8.296840   9.055480   8.664855
    36  C    5.191349   4.507389   6.591383   7.209004   7.222947
    37  H    5.842094   5.023227   7.209004   7.708662   7.977872
    38  C    3.788938   3.157640   5.191349   5.842094   5.824050
    39  H    3.157640   2.330728   4.507389   5.023227   5.343917
                   11         12         13         14         15
    11  H    0.000000
    12  C    2.220674   0.000000
    13  C    3.064249   1.410063   0.000000
    14  H    3.085280   2.195663   1.086538   0.000000
    15  C    5.548921   3.695889   2.488602   2.813963   0.000000
    16  H    5.901888   4.088621   2.969478   3.252594   1.099318
    17  C    5.916627   4.469911   3.083484   2.872765   1.521468
    18  H    5.455610   4.340518   2.940006   2.386109   2.165004
    19  H    5.882553   4.533218   3.233087   3.021064   2.147921
    20  C    7.414282   5.923248   4.549826   4.345369   2.490289
    21  H    7.639906   6.165022   4.815934   4.602496   2.768638
    22  H    7.892337   6.614974   5.214719   4.826303   3.442280
    23  C    8.284858   6.537699   5.280979   5.338022   2.924428
    24  H    9.303380   7.568415   6.299608   6.314438   3.902360
    25  H    8.401431   6.707398   5.490772   5.543787   3.366606
    26  C    8.000297   6.011668   4.942761   5.296740   2.516969
    27  H    8.215977   6.225086   5.184324   5.538886   2.771627
    28  H    8.803453   6.746096   5.785092   6.225569   3.473512
    29  C    6.638924   4.594449   3.634110   4.160567   1.537708
    30  H    6.653524   4.706811   3.789317   4.273275   2.130383
    31  C    7.607777   5.388461   5.005170   5.871222   3.634110
    32  H    8.596659   6.382902   5.871222   6.652224   4.160567
    33  C    7.574394   5.407345   5.388461   6.382902   4.594449
    34  C    8.664855   6.570818   6.701395   7.722490   5.986984
    35  H    9.698559   7.574394   7.607777   8.596659   6.638924
    36  C    8.296840   6.373626   6.794050   7.864977   6.580453
    37  H    9.055480   7.241853   7.765889   8.843826   7.649345
    38  C    6.899675   5.027086   5.572067   6.654456   5.734146
    39  H    6.416407   4.784052   5.580887   6.654224   6.187042
                   16         17         18         19         20
    16  H    0.000000
    17  C    2.138360   0.000000
    18  H    2.495615   1.091956   0.000000
    19  H    3.045861   1.094505   1.759838   0.000000
    20  C    2.689176   1.534557   2.164983   2.174588   0.000000
    21  H    2.510756   2.152939   2.449761   3.064024   1.094865
    22  H    3.703555   2.164477   2.506889   2.487043   1.091817
    23  C    3.212888   2.550198   3.488694   2.854848   1.532291
    24  H    3.994403   3.488927   4.305386   3.850453   2.162519
    25  H    3.934266   2.846317   3.838229   2.716679   2.155720
    26  C    2.678431   2.991898   3.976321   3.403422   2.550198
    27  H    2.474591   3.403422   4.211626   4.074963   2.854848
    28  H    3.690339   3.976321   5.005509   4.211626   3.488694
    29  C    2.130383   2.516969   3.473512   2.771627   2.924428
    30  H    3.019248   2.678431   3.690339   2.474591   3.212888
    31  C    3.789317   4.942761   5.785092   5.184324   5.280979
    32  H    4.273275   5.296740   6.225569   5.538886   5.338022
    33  C    4.706811   6.011668   6.746096   6.225086   6.537699
    34  C    6.037034   7.403586   8.141898   7.609809   7.861913
    35  H    6.653524   8.000297   8.803453   8.215977   8.284858
    36  C    6.640923   8.041205   8.665616   8.222514   8.700640
    37  H    7.686662   9.114230   9.723328   9.289022   9.773642
    38  C    5.851079   7.188284   7.707036   7.352048   8.039278
    39  H    6.317254   7.605657   8.007303   7.744804   8.597937
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.752149   0.000000
    23  C    2.155720   2.162519   0.000000
    24  H    2.455816   2.502738   1.091817   0.000000
    25  H    3.053074   2.455816   1.094865   1.752149   0.000000
    26  C    2.846317   3.488927   1.534557   2.164477   2.152939
    27  H    2.716679   3.850453   2.174588   2.487043   3.064024
    28  H    3.838229   4.305386   2.164983   2.506889   2.449761
    29  C    3.366606   3.902360   2.490289   3.442280   2.768638
    30  H    3.934266   3.994403   2.689176   3.703555   2.510756
    31  C    5.490772   6.299608   4.549826   5.214719   4.815934
    32  H    5.543787   6.314438   4.345369   4.826303   4.602496
    33  C    6.707398   7.568415   5.923248   6.614974   6.165022
    34  C    7.994702   8.894523   7.147777   7.748727   7.376572
    35  H    8.401431   9.303380   7.414282   7.892337   7.639906
    36  C    8.827143   9.735387   8.156321   8.847670   8.374108
    37  H    9.883392  10.810779   9.210943   9.878317   9.422212
    38  C    8.188545   9.053190   7.707028   8.513459   7.921971
    39  H    8.744361   9.585265   8.415829   9.277259   8.620026
                   26         27         28         29         30
    26  C    0.000000
    27  H    1.094505   0.000000
    28  H    1.091956   1.759838   0.000000
    29  C    1.521468   2.147921   2.165004   0.000000
    30  H    2.138360   3.045861   2.495615   1.099318   0.000000
    31  C    3.083484   3.233087   2.940006   2.488602   2.969478
    32  H    2.872765   3.021064   2.386109   2.813963   3.252594
    33  C    4.469911   4.533218   4.340518   3.695889   4.088621
    34  C    5.658755   5.654844   5.367427   5.042721   5.397288
    35  H    5.916627   5.882553   5.455610   5.548921   5.901888
    36  C    6.703800   6.696938   6.544282   5.865521   6.181499
    37  H    7.746334   7.714078   7.542440   6.939855   7.239521
    38  C    6.351044   6.389785   6.397069   5.273947   5.571182
    39  H    7.134113   7.177449   7.278109   5.941283   6.199425
                   31         32         33         34         35
    31  C    0.000000
    32  H    1.086538   0.000000
    33  C    1.410063   2.195663   0.000000
    34  C    2.610190   3.009524   1.403114   0.000000
    35  H    3.064249   3.085280   2.220674   1.078289   0.000000
    36  C    3.641520   4.265641   2.237934   1.395660   2.221491
    37  H    4.675877   5.215172   3.287923   2.219466   2.700148
    38  C    3.487720   4.384870   2.194525   2.250664   3.300804
    39  H    4.431443   5.387792   3.223014   3.302386   4.326672
                   36         37         38         39
    36  C    0.000000
    37  H    1.077670   0.000000
    38  C    1.406942   2.218842   0.000000
    39  H    2.239451   2.706111   1.078262   0.000000
 Stoichiometry    C16H18N4Ni
 Framework group  C2[C2(Ni),X(C16H18N4)]
 Deg. of freedom    56
 Full point group                 C2      NOp   2
 RotChk:  IX=0 Diff= 1.11D-15
 Largest Abelian subgroup         C2      NOp   2
 Largest concise Abelian subgroup C2      NOp   2
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         28           0        0.000000    0.000000    0.652500
      2          7           0       -0.082892    1.531465    1.779512
      3          7           0        0.035135    1.258858   -0.736700
      4          7           0       -0.035135   -1.258858   -0.736700
      5          7           0        0.082892   -1.531465    1.779512
      6          6           0       -0.174405    1.886424    3.066827
      7          1           0       -0.190593    1.149673    3.853964
      8          6           0       -0.246672    3.286447    3.185987
      9          1           0       -0.325652    3.840549    4.106914
     10          6           0       -0.197796    3.805625    1.891409
     11          1           0       -0.229262    4.843857    1.601943
     12          6           0       -0.097056    2.701930    1.030922
     13          6           0        0.000000    2.502585   -0.361601
     14          1           0        0.056610    3.325630   -1.068678
     15          6           0        0.316614    0.700637   -2.048574
     16          1           0        1.404478    0.553540   -2.107013
     17          6           0       -0.124490    1.490760   -3.271684
     18          1           0        0.338173    2.479802   -3.282004
     19          1           0       -1.208016    1.640740   -3.234017
     20          6           0        0.267203    0.718040   -4.538312
     21          1           0        1.359244    0.694817   -4.613383
     22          1           0       -0.093288    1.247887   -5.422265
     23          6           0       -0.267203   -0.718040   -4.538312
     24          1           0        0.093288   -1.247887   -5.422265
     25          1           0       -1.359244   -0.694817   -4.613383
     26          6           0        0.124490   -1.490760   -3.271684
     27          1           0        1.208016   -1.640740   -3.234017
     28          1           0       -0.338173   -2.479802   -3.282004
     29          6           0       -0.316614   -0.700637   -2.048574
     30          1           0       -1.404478   -0.553540   -2.107013
     31          6           0       -0.000000   -2.502585   -0.361601
     32          1           0       -0.056610   -3.325630   -1.068678
     33          6           0        0.097056   -2.701930    1.030922
     34          6           0        0.197796   -3.805625    1.891409
     35          1           0        0.229262   -4.843857    1.601943
     36          6           0        0.246672   -3.286447    3.185987
     37          1           0        0.325652   -3.840549    4.106914
     38          6           0        0.174405   -1.886424    3.066827
     39          1           0        0.190593   -1.149673    3.853964
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.3745811           0.2799131           0.1619734
 Leave Link  202 at Mon Sep  6 11:32:16 2021, MaxMem=  8589934592 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       7      9     11     14     16     18     19     21     22     24
 Centers:      25     27     28     30     32     35     37     39
 S 4 1.00
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 S 1 1.00
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 S 1 1.00
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 P 1 1.00
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 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6      8     10     12     13     15     17     20     23     26
 Centers:      29     31     33     34     36     38
 S 9 1.00
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 P 1 1.00
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 P 1 1.00
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 D 1 1.00
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 D 1 1.00
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 ****
 Centers:       2      3      4      5
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 S 1 1.00
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 S 1 1.00
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 P 4 1.00
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 P 1 1.00
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 P 1 1.00
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 D 1 1.00
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 D 1 1.00
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 ****
 Centers:       1
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 S 20 1.00
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 P 16 1.00
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     Exponent=  8.5133600000D-01 Coefficients= -7.2795000000D-02
     Exponent=  3.2481400000D-01 Coefficients=  1.9564000000D-01
     Exponent=  1.1952200000D-01 Coefficients=  5.6709900000D-01
     Exponent=  4.2366000000D-02 Coefficients=  3.9527000000D-01
 P 16 1.00
     Exponent=  2.1027920000D+04 Coefficients=  6.0000000000D-06
     Exponent=  4.9775600000D+03 Coefficients=  5.3000000000D-05
     Exponent=  1.6167400000D+03 Coefficients=  3.0500000000D-04
     Exponent=  6.1867180000D+02 Coefficients=  1.3640000000D-03
     Exponent=  2.6251830000D+02 Coefficients=  4.8760000000D-03
     Exponent=  1.1969070000D+02 Coefficients=  1.4503000000D-02
     Exponent=  5.7465850000D+01 Coefficients=  3.3296000000D-02
     Exponent=  2.8528290000D+01 Coefficients=  5.7482000000D-02
     Exponent=  1.4521480000D+01 Coefficients=  5.8702000000D-02
     Exponent=  7.4538500000D+00 Coefficients= -1.9904000000D-02
     Exponent=  3.7235530000D+00 Coefficients= -1.9469500000D-01
     Exponent=  1.8098130000D+00 Coefficients= -2.3961300000D-01
     Exponent=  8.5133600000D-01 Coefficients= -2.2320000000D-03
     Exponent=  3.2481400000D-01 Coefficients=  5.2143500000D-01
     Exponent=  1.1952200000D-01 Coefficients=  5.4554000000D-01
     Exponent=  4.2366000000D-02 Coefficients=  4.3622000000D-02
 P 1 1.00
     Exponent=  4.2366000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.5020000000D-02 Coefficients=  1.0000000000D+00
 D 8 1.00
     Exponent=  1.4025270000D+02 Coefficients=  3.3760000000D-03
     Exponent=  4.1726100000D+01 Coefficients=  2.5141000000D-02
     Exponent=  1.5398100000D+01 Coefficients=  9.7746000000D-02
     Exponent=  6.2771000000D+00 Coefficients=  2.3470900000D-01
     Exponent=  2.6185000000D+00 Coefficients=  3.4694500000D-01
     Exponent=  1.0526000000D+00 Coefficients=  3.5106800000D-01
     Exponent=  3.9160000000D-01 Coefficients=  2.5025500000D-01
     Exponent=  1.2620000000D-01 Coefficients=  1.0008200000D-01
 D 8 1.00
     Exponent=  1.4025270000D+02 Coefficients= -3.4950000000D-03
     Exponent=  4.1726100000D+01 Coefficients= -2.6015000000D-02
     Exponent=  1.5398100000D+01 Coefficients= -1.0387600000D-01
     Exponent=  6.2771000000D+00 Coefficients= -2.5207000000D-01
     Exponent=  2.6185000000D+00 Coefficients= -2.9458000000D-01
     Exponent=  1.0526000000D+00 Coefficients=  1.1520000000D-03
     Exponent=  3.9160000000D-01 Coefficients=  4.3858900000D-01
     Exponent=  1.2620000000D-01 Coefficients=  5.4362600000D-01
 D 1 1.00
     Exponent=  1.2620000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  4.0670000000D-02 Coefficients=  1.0000000000D+00
 F 2 1.00
     Exponent=  4.3455000000D+00 Coefficients=  4.1742900000D-01
     Exponent=  1.0680000000D+00 Coefficients=  7.7148300000D-01
 F 1 1.00
     Exponent=  4.0830000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  126 primitive shells out of 893 were deleted.
 There are   368 symmetry adapted cartesian basis functions of A   symmetry.
 There are   363 symmetry adapted cartesian basis functions of B   symmetry.
 There are   342 symmetry adapted basis functions of A   symmetry.
 There are   339 symmetry adapted basis functions of B   symmetry.
   681 basis functions,  1464 primitive gaussians,   731 cartesian basis functions
    85 alpha electrons       85 beta electrons
       nuclear repulsion energy      2160.8498980136 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   39 NActive=   39 NUniq=   20 SFac= 3.80D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Sep  6 11:32:18 2021, MaxMem=  8589934592 cpu:              17.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   681 RedAO= T EigKep=  1.14D-06  NBF=   342   339
 NBsUse=   681 1.00D-06 EigRej= -1.00D+00 NBFU=   342   339
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   731   731   731   731   731 MxSgAt=    39 MxSgA2=    39.
 Leave Link  302 at Mon Sep  6 11:32:20 2021, MaxMem=  8589934592 cpu:              13.3 elap:               1.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Sep  6 11:32:21 2021, MaxMem=  8589934592 cpu:               2.6 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "NiComplex_M11_augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000   -0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (B) (A) (B) (A) (B) (A) (B) (B) (A) (A)
                 (B) (A) (B) (A) (B) (B) (A) (B) (A) (A) (B) (A)
                 (B) (A) (B) (A) (B) (A) (B) (A) (B) (A) (A) (B)
                 (A) (B) (B) (A) (A) (B) (A) (B) (B) (A) (B) (A)
                 (A) (B) (B) (A) (B) (A) (B) (A) (B) (A) (A) (B)
                 (B) (A) (A) (A) (B) (A) (B) (B) (B) (A) (A) (B)
                 (A) (B) (A) (A) (B) (A) (A) (B) (B) (A) (A) (A)
                 (B)
       Virtual   (B) (A) (B) (A) (B) (B) (A) (A) (B) (A) (B) (A)
                 (A) (B) (B) (A) (B) (A) (B) (A) (B) (A) (A) (B)
                 (A) (B) (B) (A) (B) (A) (B) (B) (A) (A) (B) (A)
                 (B) (A) (A) (B) (B) (A) (B) (A) (B) (A) (B) (A)
                 (B) (B) (A) (A) (B) (A) (B) (A) (A) (B) (A) (A)
                 (B) (A) (B) (B) (A) (B) (A) (B) (B) (A) (B) (A)
                 (B) (A) (B) (A) (A) (B) (A) (B) (B) (A) (A) (B)
                 (A) (B) (B) (A) (B) (A) (B) (A) (B) (A) (A) (A)
                 (B) (B) (B) (B) (A) (A) (B) (A) (B) (A) (B) (A)
                 (A) (B) (A) (B) (B) (B) (A) (A) (B) (B) (A) (A)
                 (B) (B) (A) (A) (A) (B) (A) (B) (A) (B) (B) (A)
                 (A) (B) (A) (B) (B) (A) (A) (A) (B) (B) (A) (B)
                 (A) (B) (A) (B) (B) (A) (B) (A) (A) (B) (A) (B)
                 (A) (B) (A) (B) (A) (A) (B) (B) (A) (B) (B) (A)
                 (A) (B) (B) (A) (A) (B) (A) (A) (B) (A) (B) (A)
                 (B) (B) (A) (B) (B) (B) (A) (A) (A) (B) (A) (A)
                 (B) (B) (A) (B) (A) (B) (A) (A) (B) (B) (A) (A)
                 (B) (B) (B) (A) (A) (B) (A) (B) (A) (B) (B) (A)
                 (A) (B) (A) (B) (B) (A) (B) (A) (B) (A) (A) (B)
                 (A) (B) (A) (A) (B) (B) (A) (A) (B) (A) (B) (B)
                 (B) (A) (A) (B) (A) (B) (A) (A) (B) (B) (A) (B)
                 (A) (B) (A) (A) (B) (B) (B) (A) (B) (A) (A) (B)
                 (B) (A) (B) (A) (B) (A) (B) (A) (B) (A) (B) (B)
                 (A) (B) (A) (A) (B) (A) (B) (B) (A) (B) (A) (A)
                 (A) (B) (B) (A) (B) (A) (B) (B) (A) (A) (B) (A)
                 (A) (B) (B) (A) (A) (B) (A) (B) (A) (B) (A) (A)
                 (B) (B) (B) (A) (A) (A) (B) (A) (B) (B) (A) (B)
                 (B) (A) (A) (A) (B) (B) (A) (B) (A) (B) (A) (B)
                 (B) (A) (A) (A) (B) (B) (A) (B) (B) (A) (A) (B)
                 (A) (B) (A) (A) (B) (B) (A) (B) (B) (A) (B) (A)
                 (A) (A) (B) (A) (B) (B) (A) (B) (A) (A) (B) (B)
                 (A) (A) (A) (B) (A) (B) (A) (B) (A) (B) (B) (B)
                 (A) (A) (B) (A) (A) (B) (B) (A) (A) (B) (B) (A)
                 (B) (B) (A) (A) (B) (B) (A) (A) (B) (A) (B) (A)
                 (A) (B) (A) (B) (A) (B) (B) (B) (A) (A) (B) (A)
                 (B) (B) (A) (B) (A) (A) (B) (A) (B) (B) (A) (B)
                 (A) (A) (B) (A) (B) (B) (A) (B) (A) (B) (B) (A)
                 (B) (A) (B) (A) (B) (A) (A) (B) (B) (A) (A) (B)
                 (A) (A) (B) (B) (B) (A) (A) (B) (A) (A) (B) (B)
                 (A) (A) (B) (B) (B) (A) (B) (A) (B) (A) (B) (A)
                 (A) (B) (A) (B) (A) (A) (B) (A) (B) (B) (A) (B)
                 (A) (B) (A) (B) (A) (B) (B) (A) (B) (A) (A) (B)
                 (A) (B) (A) (B) (B) (A) (A) (A) (B) (A) (B) (B)
                 (A) (B) (B) (A) (A) (A) (B) (B) (A) (B) (B) (A)
                 (B) (B) (A) (B) (A) (A) (B) (B) (A) (B) (A) (A)
                 (B) (A) (A) (B) (A) (B) (B) (A) (B) (A) (A) (B)
                 (A) (B) (B) (A) (B) (A) (A) (A) (B) (B) (A) (B)
                 (A) (A) (B) (B) (A) (B) (A) (B) (A) (A) (B) (B)
                 (A) (A) (B) (B) (A) (A) (B) (A) (B) (B) (A) (A)
                 (B) (A) (A) (B) (B) (B) (B) (B)
 The electronic state of the initial guess is 1-A.
 Leave Link  401 at Mon Sep  6 11:32:25 2021, MaxMem=  8589934592 cpu:              28.4 elap:               3.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  8589934592 LenX=  8588851584 LenY=  8588316492
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 1 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 E= -2347.38131323562    
 DIIS: error= 6.95D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -2347.38131323562     IErMin= 1 ErrMin= 6.95D-03
 ErrMax= 6.95D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.79D-02 BMatP= 3.79D-02
 IDIUse=3 WtCom= 9.31D-01 WtEn= 6.95D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.298 Goal=   None    Shift=    0.000
 GapD=    0.298 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=6.30D-02 MaxDP=1.06D+01              OVMax= 3.61D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.07D-02    CP:  2.34D+00
 E= -2347.41438192957     Delta-E=       -0.033068693943 Rises=F Damp=F
 DIIS: error= 2.38D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -2347.41438192957     IErMin= 2 ErrMin= 2.38D-03
 ErrMax= 2.38D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.10D-03 BMatP= 3.79D-02
 IDIUse=3 WtCom= 9.76D-01 WtEn= 2.38D-02
 Coeff-Com:  0.253D-02 0.997D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.247D-02 0.998D+00
 Gap=     0.263 Goal=   None    Shift=    0.000
 RMSDP=1.14D-02 MaxDP=1.37D+00 DE=-3.31D-02 OVMax= 2.04D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.80D-03    CP:  2.57D+00  1.18D+00
 E= -2347.41499953337     Delta-E=       -0.000617603799 Rises=F Damp=F
 DIIS: error= 2.45D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -2347.41499953337     IErMin= 2 ErrMin= 2.38D-03
 ErrMax= 2.45D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.73D-03 BMatP= 2.10D-03
 IDIUse=3 WtCom= 1.68D-01 WtEn= 8.32D-01
 Coeff-Com: -0.518D-01 0.674D+00 0.377D+00
 Coeff-En:   0.000D+00 0.383D+00 0.617D+00
 Coeff:     -0.870D-02 0.432D+00 0.577D+00
 Gap=     0.263 Goal=   None    Shift=    0.000
 RMSDP=1.27D-03 MaxDP=2.85D-01 DE=-6.18D-04 OVMax= 1.97D-02

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.16D-04    CP:  2.59D+00  1.19D+00  1.00D+00
 E= -2347.41574613090     Delta-E=       -0.000746597530 Rises=F Damp=F
 DIIS: error= 3.04D-03 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -2347.41574613090     IErMin= 2 ErrMin= 2.38D-03
 ErrMax= 3.04D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.81D-03 BMatP= 2.10D-03
 IDIUse=3 WtCom= 1.54D-01 WtEn= 8.46D-01
 Coeff-Com: -0.192D-01 0.422D-01 0.480D+00 0.497D+00
 Coeff-En:   0.000D+00 0.000D+00 0.430D+00 0.570D+00
 Coeff:     -0.295D-02 0.647D-02 0.437D+00 0.559D+00
 Gap=     0.263 Goal=   None    Shift=    0.000
 RMSDP=8.25D-04 MaxDP=1.86D-01 DE=-7.47D-04 OVMax= 1.03D-02

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.27D-04    CP:  2.59D+00  1.20D+00  1.19D+00  6.65D-01
 E= -2347.41751867446     Delta-E=       -0.001772543566 Rises=F Damp=F
 DIIS: error= 7.79D-04 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -2347.41751867446     IErMin= 5 ErrMin= 7.79D-04
 ErrMax= 7.79D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.44D-04 BMatP= 2.10D-03
 IDIUse=3 WtCom= 9.92D-01 WtEn= 7.79D-03
 Coeff-Com:  0.480D-02-0.189D+00 0.109D+00 0.376D+00 0.699D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.107D-01 0.989D+00
 Coeff:      0.476D-02-0.188D+00 0.109D+00 0.373D+00 0.701D+00
 Gap=     0.263 Goal=   None    Shift=    0.000
 RMSDP=3.26D-04 MaxDP=3.53D-02 DE=-1.77D-03 OVMax= 5.07D-03

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.22D-04    CP:  2.60D+00  1.20D+00  1.26D+00  8.29D-01  1.33D+00
 E= -2347.41771964688     Delta-E=       -0.000200972418 Rises=F Damp=F
 DIIS: error= 8.99D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -2347.41771964688     IErMin= 6 ErrMin= 8.99D-05
 ErrMax= 8.99D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.06D-05 BMatP= 3.44D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.486D-02-0.754D-01-0.463D-01 0.616D-01 0.290D+00 0.765D+00
 Coeff:      0.486D-02-0.754D-01-0.463D-01 0.616D-01 0.290D+00 0.765D+00
 Gap=     0.263 Goal=   None    Shift=    0.000
 RMSDP=9.85D-05 MaxDP=2.53D-02 DE=-2.01D-04 OVMax= 1.55D-03

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.88D-05    CP:  2.59D+00  1.20D+00  1.26D+00  8.31D-01  1.44D+00
                    CP:  1.09D+00
 E= -2347.41773695154     Delta-E=       -0.000017304660 Rises=F Damp=F
 DIIS: error= 5.50D-05 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -2347.41773695154     IErMin= 7 ErrMin= 5.50D-05
 ErrMax= 5.50D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.63D-06 BMatP= 1.06D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.103D-02 0.505D-02-0.345D-01-0.429D-01-0.280D-02 0.296D+00
 Coeff-Com:  0.778D+00
 Coeff:      0.103D-02 0.505D-02-0.345D-01-0.429D-01-0.280D-02 0.296D+00
 Coeff:      0.778D+00
 Gap=     0.263 Goal=   None    Shift=    0.000
 RMSDP=7.36D-05 MaxDP=1.24D-02 DE=-1.73D-05 OVMax= 4.51D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.81D-05    CP:  2.59D+00  1.20D+00  1.26D+00  8.28D-01  1.50D+00
                    CP:  1.11D+00  1.21D+00
 E= -2347.41773944658     Delta-E=       -0.000002495034 Rises=F Damp=F
 DIIS: error= 3.10D-05 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -2347.41773944658     IErMin= 8 ErrMin= 3.10D-05
 ErrMax= 3.10D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.80D-07 BMatP= 1.63D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.299D-03 0.108D-01-0.424D-02-0.254D-01-0.402D-01-0.876D-02
 Coeff-Com:  0.205D+00 0.863D+00
 Coeff:     -0.299D-03 0.108D-01-0.424D-02-0.254D-01-0.402D-01-0.876D-02
 Coeff:      0.205D+00 0.863D+00
 Gap=     0.263 Goal=   None    Shift=    0.000
 RMSDP=1.59D-05 MaxDP=2.77D-03 DE=-2.50D-06 OVMax= 2.38D-04

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.37D-06    CP:  2.59D+00  1.20D+00  1.26D+00  8.27D-01  1.52D+00
                    CP:  1.13D+00  1.32D+00  1.25D+00
 E= -2347.41773986689     Delta-E=       -0.000000420315 Rises=F Damp=F
 DIIS: error= 7.23D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -2347.41773986689     IErMin= 9 ErrMin= 7.23D-06
 ErrMax= 7.23D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.76D-08 BMatP= 2.80D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.263D-03 0.416D-02 0.241D-02-0.615D-02-0.182D-01-0.364D-01
 Coeff-Com: -0.128D-01 0.374D+00 0.693D+00
 Coeff:     -0.263D-03 0.416D-02 0.241D-02-0.615D-02-0.182D-01-0.364D-01
 Coeff:     -0.128D-01 0.374D+00 0.693D+00
 Gap=     0.263 Goal=   None    Shift=    0.000
 RMSDP=6.77D-06 MaxDP=9.23D-04 DE=-4.20D-07 OVMax= 1.11D-04

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.66D-06    CP:  2.59D+00  1.20D+00  1.26D+00  8.28D-01  1.52D+00
                    CP:  1.13D+00  1.34D+00  1.31D+00  1.17D+00
 E= -2347.41773994243     Delta-E=       -0.000000075543 Rises=F Damp=F
 DIIS: error= 3.50D-06 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -2347.41773994243     IErMin=10 ErrMin= 3.50D-06
 ErrMax= 3.50D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.69D-09 BMatP= 3.76D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.236D-04-0.199D-02 0.202D-02 0.589D-02 0.603D-02-0.392D-02
 Coeff-Com: -0.646D-01-0.138D+00 0.152D+00 0.104D+01
 Coeff:      0.236D-04-0.199D-02 0.202D-02 0.589D-02 0.603D-02-0.392D-02
 Coeff:     -0.646D-01-0.138D+00 0.152D+00 0.104D+01
 Gap=     0.263 Goal=   None    Shift=    0.000
 RMSDP=6.69D-06 MaxDP=1.10D-03 DE=-7.55D-08 OVMax= 1.01D-04

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.98D-06    CP:  2.59D+00  1.20D+00  1.26D+00  8.29D-01  1.52D+00
                    CP:  1.13D+00  1.34D+00  1.32D+00  1.28D+00  1.60D+00
 E= -2347.41773997306     Delta-E=       -0.000000030623 Rises=F Damp=F
 DIIS: error= 2.57D-06 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -2347.41773997306     IErMin=11 ErrMin= 2.57D-06
 ErrMax= 2.57D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.87D-09 BMatP= 6.69D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.584D-04-0.132D-02 0.171D-04 0.254D-02 0.492D-02 0.779D-02
 Coeff-Com: -0.146D-01-0.108D+00-0.119D+00 0.252D+00 0.976D+00
 Coeff:      0.584D-04-0.132D-02 0.171D-04 0.254D-02 0.492D-02 0.779D-02
 Coeff:     -0.146D-01-0.108D+00-0.119D+00 0.252D+00 0.976D+00
 Gap=     0.263 Goal=   None    Shift=    0.000
 RMSDP=2.31D-06 MaxDP=2.94D-04 DE=-3.06D-08 OVMax= 5.87D-05

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  6.49D-07    CP:  2.59D+00  1.20D+00  1.26D+00  8.30D-01  1.52D+00
                    CP:  1.13D+00  1.33D+00  1.30D+00  1.33D+00  1.92D+00
                    CP:  1.45D+00
 E= -2347.41773998240     Delta-E=       -0.000000009348 Rises=F Damp=F
 DIIS: error= 1.70D-06 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -2347.41773998240     IErMin=12 ErrMin= 1.70D-06
 ErrMax= 1.70D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.36D-10 BMatP= 1.87D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.140D-04 0.135D-03-0.543D-03-0.915D-03-0.324D-03 0.465D-02
 Coeff-Com:  0.147D-01 0.737D-02-0.940D-01-0.210D+00 0.364D+00 0.916D+00
 Coeff:      0.140D-04 0.135D-03-0.543D-03-0.915D-03-0.324D-03 0.465D-02
 Coeff:      0.147D-01 0.737D-02-0.940D-01-0.210D+00 0.364D+00 0.916D+00
 Gap=     0.263 Goal=   None    Shift=    0.000
 RMSDP=1.23D-06 MaxDP=2.89D-04 DE=-9.35D-09 OVMax= 3.84D-05

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  3.67D-07    CP:  2.59D+00  1.20D+00  1.26D+00  8.30D-01  1.52D+00
                    CP:  1.13D+00  1.33D+00  1.30D+00  1.32D+00  2.03D+00
                    CP:  1.65D+00  1.26D+00
 E= -2347.41773998534     Delta-E=       -0.000000002941 Rises=F Damp=F
 DIIS: error= 1.18D-06 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -2347.41773998534     IErMin=13 ErrMin= 1.18D-06
 ErrMax= 1.18D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.13D-10 BMatP= 6.36D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.170D-04 0.445D-03-0.728D-04-0.913D-03-0.181D-02-0.167D-02
 Coeff-Com:  0.638D-02 0.342D-01 0.240D-01-0.111D+00-0.303D+00 0.110D+00
 Coeff-Com:  0.124D+01
 Coeff:     -0.170D-04 0.445D-03-0.728D-04-0.913D-03-0.181D-02-0.167D-02
 Coeff:      0.638D-02 0.342D-01 0.240D-01-0.111D+00-0.303D+00 0.110D+00
 Coeff:      0.124D+01
 Gap=     0.263 Goal=   None    Shift=    0.000
 RMSDP=9.49D-07 MaxDP=2.16D-04 DE=-2.94D-09 OVMax= 3.75D-05

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  2.19D-07    CP:  2.59D+00  1.20D+00  1.26D+00  8.30D-01  1.52D+00
                    CP:  1.14D+00  1.33D+00  1.29D+00  1.31D+00  2.09D+00
                    CP:  1.79D+00  1.51D+00  1.45D+00
 E= -2347.41773998691     Delta-E=       -0.000000001566 Rises=F Damp=F
 DIIS: error= 6.22D-07 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -2347.41773998691     IErMin=14 ErrMin= 6.22D-07
 ErrMax= 6.22D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.47D-11 BMatP= 2.13D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.327D-05-0.838D-04 0.183D-03 0.374D-03 0.285D-03-0.167D-02
 Coeff-Com: -0.545D-02-0.538D-02 0.329D-01 0.806D-01-0.825D-01-0.370D+00
 Coeff-Com: -0.811D-02 0.136D+01
 Coeff:     -0.327D-05-0.838D-04 0.183D-03 0.374D-03 0.285D-03-0.167D-02
 Coeff:     -0.545D-02-0.538D-02 0.329D-01 0.806D-01-0.825D-01-0.370D+00
 Coeff:     -0.811D-02 0.136D+01
 Gap=     0.263 Goal=   None    Shift=    0.000
 RMSDP=2.11D-07 MaxDP=2.71D-05 DE=-1.57D-09 OVMax= 2.28D-05

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  1.19D-07    CP:  2.59D+00  1.20D+00  1.26D+00  8.30D-01  1.52D+00
                    CP:  1.14D+00  1.33D+00  1.29D+00  1.31D+00  2.07D+00
                    CP:  1.78D+00  1.52D+00  1.65D+00  1.40D+00
 E= -2347.41773998805     Delta-E=       -0.000000001142 Rises=F Damp=F
 DIIS: error= 2.71D-07 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=15 EnMin= -2347.41773998805     IErMin=15 ErrMin= 2.71D-07
 ErrMax= 2.71D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.01D-11 BMatP= 6.47D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.416D-05-0.169D-03 0.795D-04 0.421D-03 0.743D-03-0.177D-03
 Coeff-Com: -0.387D-02-0.129D-01 0.501D-02 0.612D-01 0.749D-01-0.191D+00
 Coeff-Com: -0.376D+00 0.444D+00 0.998D+00
 Coeff:      0.416D-05-0.169D-03 0.795D-04 0.421D-03 0.743D-03-0.177D-03
 Coeff:     -0.387D-02-0.129D-01 0.501D-02 0.612D-01 0.749D-01-0.191D+00
 Coeff:     -0.376D+00 0.444D+00 0.998D+00
 Gap=     0.263 Goal=   None    Shift=    0.000
 RMSDP=2.28D-07 MaxDP=4.50D-05 DE=-1.14D-09 OVMax= 1.17D-05

 Cycle  16  Pass 1  IDiag  1:
 RMSU=  8.96D-08    CP:  2.59D+00  1.20D+00  1.26D+00  8.30D-01  1.52D+00
                    CP:  1.14D+00  1.33D+00  1.29D+00  1.31D+00  2.07D+00
                    CP:  1.76D+00  1.48D+00  1.62D+00  1.45D+00  1.36D+00
 E= -2347.41773998777     Delta-E=        0.000000000287 Rises=F Damp=F
 DIIS: error= 8.97D-08 at cycle  16 NSaved=  16.
 NSaved=16 IEnMin=15 EnMin= -2347.41773998805     IErMin=16 ErrMin= 8.97D-08
 ErrMax= 8.97D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.90D-12 BMatP= 2.01D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.908D-06 0.159D-04-0.533D-04-0.746D-04 0.233D-04 0.371D-03
 Coeff-Com:  0.143D-02 0.659D-03-0.809D-02-0.209D-01 0.345D-01 0.766D-01
 Coeff-Com: -0.991D-02-0.362D+00 0.105D+00 0.118D+01
 Coeff:      0.908D-06 0.159D-04-0.533D-04-0.746D-04 0.233D-04 0.371D-03
 Coeff:      0.143D-02 0.659D-03-0.809D-02-0.209D-01 0.345D-01 0.766D-01
 Coeff:     -0.991D-02-0.362D+00 0.105D+00 0.118D+01
 Gap=     0.263 Goal=   None    Shift=    0.000
 RMSDP=1.43D-07 MaxDP=2.48D-05 DE= 2.87D-10 OVMax= 4.67D-06

 Cycle  17  Pass 1  IDiag  1:
 RMSU=  4.28D-08    CP:  2.59D+00  1.20D+00  1.26D+00  8.30D-01  1.52D+00
                    CP:  1.13D+00  1.33D+00  1.29D+00  1.31D+00  2.06D+00
                    CP:  1.74D+00  1.45D+00  1.53D+00  1.38D+00  1.61D+00
                    CP:  1.33D+00
 E= -2347.41773998768     Delta-E=        0.000000000088 Rises=F Damp=F
 DIIS: error= 3.52D-08 at cycle  17 NSaved=  17.
 NSaved=17 IEnMin=15 EnMin= -2347.41773998805     IErMin=17 ErrMin= 3.52D-08
 ErrMax= 3.52D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.31D-13 BMatP= 3.90D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.670D-06 0.280D-04-0.196D-04-0.719D-04-0.101D-03-0.591D-06
 Coeff-Com:  0.722D-03 0.202D-02-0.830D-03-0.112D-01-0.927D-02 0.309D-01
 Coeff-Com:  0.627D-01-0.937D-01-0.139D+00 0.688D-01 0.109D+01
 Coeff:     -0.670D-06 0.280D-04-0.196D-04-0.719D-04-0.101D-03-0.591D-06
 Coeff:      0.722D-03 0.202D-02-0.830D-03-0.112D-01-0.927D-02 0.309D-01
 Coeff:      0.627D-01-0.937D-01-0.139D+00 0.688D-01 0.109D+01
 Gap=     0.263 Goal=   None    Shift=    0.000
 RMSDP=5.07D-08 MaxDP=5.81D-06 DE= 8.82D-11 OVMax= 1.14D-06

 Cycle  18  Pass 1  IDiag  1:
 RMSU=  1.43D-08    CP:  2.59D+00  1.20D+00  1.26D+00  8.30D-01  1.52D+00
                    CP:  1.13D+00  1.33D+00  1.29D+00  1.31D+00  2.05D+00
                    CP:  1.73D+00  1.44D+00  1.51D+00  1.35D+00  1.65D+00
                    CP:  1.41D+00  1.36D+00
 E= -2347.41773998781     Delta-E=       -0.000000000137 Rises=F Damp=F
 DIIS: error= 1.24D-08 at cycle  18 NSaved=  18.
 NSaved=18 IEnMin=15 EnMin= -2347.41773998805     IErMin=18 ErrMin= 1.24D-08
 ErrMax= 1.24D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.19D-14 BMatP= 4.31D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.316D-06 0.507D-05 0.202D-05-0.783D-05-0.302D-04-0.703D-04
 Coeff-Com: -0.248D-04 0.430D-03 0.113D-02 0.121D-03-0.732D-02-0.421D-02
 Coeff-Com:  0.188D-01 0.289D-01-0.523D-01-0.158D+00 0.291D+00 0.881D+00
 Coeff:     -0.316D-06 0.507D-05 0.202D-05-0.783D-05-0.302D-04-0.703D-04
 Coeff:     -0.248D-04 0.430D-03 0.113D-02 0.121D-03-0.732D-02-0.421D-02
 Coeff:      0.188D-01 0.289D-01-0.523D-01-0.158D+00 0.291D+00 0.881D+00
 Gap=     0.263 Goal=   None    Shift=    0.000
 RMSDP=1.78D-08 MaxDP=2.43D-06 DE=-1.37D-10 OVMax= 3.18D-07

 Cycle  19  Pass 1  IDiag  1:
 RMSU=  5.08D-09    CP:  2.59D+00  1.20D+00  1.26D+00  8.30D-01  1.52D+00
                    CP:  1.13D+00  1.33D+00  1.29D+00  1.31D+00  2.05D+00
                    CP:  1.73D+00  1.43D+00  1.51D+00  1.35D+00  1.65D+00
                    CP:  1.42D+00  1.45D+00  1.15D+00
 E= -2347.41773998711     Delta-E=        0.000000000707 Rises=F Damp=F
 DIIS: error= 4.16D-09 at cycle  19 NSaved=  19.
 NSaved=19 IEnMin=15 EnMin= -2347.41773998805     IErMin=19 ErrMin= 4.16D-09
 ErrMax= 4.16D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.72D-15 BMatP= 7.19D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.482D-07-0.323D-05 0.305D-05 0.956D-05 0.102D-04-0.132D-04
 Coeff-Com: -0.980D-04-0.224D-03 0.270D-03 0.153D-02 0.379D-03-0.515D-02
 Coeff-Com: -0.567D-02 0.172D-01 0.111D-01-0.316D-01-0.107D+00 0.940D-01
 Coeff-Com:  0.103D+01
 Coeff:      0.482D-07-0.323D-05 0.305D-05 0.956D-05 0.102D-04-0.132D-04
 Coeff:     -0.980D-04-0.224D-03 0.270D-03 0.153D-02 0.379D-03-0.515D-02
 Coeff:     -0.567D-02 0.172D-01 0.111D-01-0.316D-01-0.107D+00 0.940D-01
 Coeff:      0.103D+01
 Gap=     0.263 Goal=   None    Shift=    0.000
 RMSDP=6.36D-09 MaxDP=1.43D-06 DE= 7.07D-10 OVMax= 1.12D-07

 Cycle  20  Pass 1  IDiag  1:
 RMSU=  2.01D-09    CP:  2.59D+00  1.20D+00  1.26D+00  8.30D-01  1.52D+00
                    CP:  1.13D+00  1.33D+00  1.29D+00  1.31D+00  2.05D+00
                    CP:  1.73D+00  1.43D+00  1.51D+00  1.35D+00  1.65D+00
                    CP:  1.41D+00  1.45D+00  1.24D+00  1.28D+00
 E= -2347.41773998795     Delta-E=       -0.000000000841 Rises=F Damp=F
 DIIS: error= 1.15D-09 at cycle  20 NSaved=  20.
 NSaved=20 IEnMin=15 EnMin= -2347.41773998805     IErMin=20 ErrMin= 1.15D-09
 ErrMax= 1.15D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.23D-16 BMatP= 7.72D-15
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 20 BigCof=    0.00 CofMax=   10.00 Det=-4.19D-15
 Inversion failed.  Reducing to 19 matrices.
 Large coefficients: NSaved= 19 BigCof=    0.00 CofMax=   10.00 Det=-4.25D-15
 Inversion failed.  Reducing to 18 matrices.
 Large coefficients: NSaved= 18 BigCof=    0.00 CofMax=   10.00 Det=-4.74D-15
 Inversion failed.  Reducing to 17 matrices.
 Large coefficients: NSaved= 17 BigCof=    0.00 CofMax=   10.00 Det=-4.88D-15
 Inversion failed.  Reducing to 16 matrices.
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-5.03D-15
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com:  0.156D-05 0.674D-05-0.370D-05-0.301D-04-0.841D-05 0.318D-03
 Coeff-Com: -0.191D-03-0.103D-02-0.204D-03 0.377D-02 0.703D-02-0.382D-01
 Coeff-Com: -0.647D-01 0.244D+00 0.850D+00
 Coeff:      0.156D-05 0.674D-05-0.370D-05-0.301D-04-0.841D-05 0.318D-03
 Coeff:     -0.191D-03-0.103D-02-0.204D-03 0.377D-02 0.703D-02-0.382D-01
 Coeff:     -0.647D-01 0.244D+00 0.850D+00
 Gap=     0.263 Goal=   None    Shift=    0.000
 RMSDP=1.26D-09 MaxDP=1.03D-07 DE=-8.41D-10 OVMax= 2.65D-08

 SCF Done:  E(RM11) =  -2347.41773999     A.U. after   20 cycles
            NFock= 20  Conv=0.13D-08     -V/T= 2.0033
 KE= 2.339593488165D+03 PE=-9.871837360880D+03 EE= 3.023976234713D+03
 Leave Link  502 at Mon Sep  6 12:44:14 2021, MaxMem=  8589934592 cpu:           34456.7 elap:            4308.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   681
 NBasis=   681 NAE=    85 NBE=    85 NFC=     0 NFV=     0
 NROrb=    681 NOA=    85 NOB=    85 NVA=   596 NVB=   596

 **** Warning!!: The largest alpha MO coefficient is  0.21455336D+03

 Leave Link  801 at Mon Sep  6 12:44:15 2021, MaxMem=  8589934592 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        12169 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    8589934592 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          39
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 8.44D-13 8.33D-09 XBig12= 1.00D+00 4.02D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 8.44D-13 8.33D-09 XBig12= 2.73D-01 7.86D-02.
     11 vectors produced by pass  2 Test12= 8.44D-13 8.33D-09 XBig12= 1.05D-01 1.15D-01.
     11 vectors produced by pass  3 Test12= 8.44D-13 8.33D-09 XBig12= 8.00D-02 4.67D-02.
     11 vectors produced by pass  4 Test12= 8.44D-13 8.33D-09 XBig12= 1.97D-02 2.05D-02.
     11 vectors produced by pass  5 Test12= 8.44D-13 8.33D-09 XBig12= 2.74D-03 8.48D-03.
     11 vectors produced by pass  6 Test12= 8.44D-13 8.33D-09 XBig12= 3.37D-04 3.35D-03.
     11 vectors produced by pass  7 Test12= 8.44D-13 8.33D-09 XBig12= 3.47D-05 9.72D-04.
     11 vectors produced by pass  8 Test12= 8.44D-13 8.33D-09 XBig12= 1.87D-06 2.33D-04.
     11 vectors produced by pass  9 Test12= 8.44D-13 8.33D-09 XBig12= 9.61D-08 6.69D-05.
     11 vectors produced by pass 10 Test12= 8.44D-13 8.33D-09 XBig12= 5.13D-09 2.03D-05.
     11 vectors produced by pass 11 Test12= 8.44D-13 8.33D-09 XBig12= 3.11D-10 2.87D-06.
     11 vectors produced by pass 12 Test12= 8.44D-13 8.33D-09 XBig12= 1.82D-11 7.80D-07.
      9 vectors produced by pass 13 Test12= 8.44D-13 8.33D-09 XBig12= 1.26D-12 2.39D-07.
      3 vectors produced by pass 14 Test12= 8.44D-13 8.33D-09 XBig12= 1.33D-13 6.64D-08.
      2 vectors produced by pass 15 Test12= 8.44D-13 8.33D-09 XBig12= 3.99D-14 1.79D-08.
      1 vectors produced by pass 16 Test12= 8.44D-13 8.33D-09 XBig12= 7.20D-14 1.49D-08.
      1 vectors produced by pass 17 Test12= 8.44D-13 8.33D-09 XBig12= 2.51D-14 8.91D-09.
      1 vectors produced by pass 18 Test12= 8.44D-13 8.33D-09 XBig12= 1.87D-14 8.52D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension   160 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.148941D+03
      2 -0.101532D+02  0.312159D+03
      3  0.000000D+00  0.000000D+00  0.383181D+03
 Isotropic polarizability for W=    0.085645      281.43 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.000000D+00  0.000000D+00 -0.228802D+03
      2   0.000000D+00  0.000000D+00  0.258742D+03
      3   0.000000D+00  0.000000D+00 -0.299398D+02
      4   0.000000D+00  0.000000D+00 -0.652444D+02
      5  -0.721489D+02 -0.400309D+02  0.000000D+00
      6  -0.846867D+02  0.551167D+03  0.000000D+00
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.409997D+02 -0.125719D+03  0.000000D+00
      2   0.327257D+02  0.213265D+02  0.000000D+00
      3   0.000000D+00  0.000000D+00 -0.250267D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.252135D+02  0.292425D+03  0.000000D+00
      2  -0.156653D+03  0.194423D+02  0.000000D+00
      3   0.000000D+00  0.000000D+00 -0.446558D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.445330D+01  0.402197D+02  0.000000D+00
      2   0.402197D+02  0.128471D+02  0.000000D+00
      3   0.000000D+00  0.000000D+00  0.199992D+02
 OR G Eigenvalues:   -31.7879    19.9992    49.0883  Iso=   -12.4332
 Eigenvectors:
   (1)   0.742895  -0.669408  -0.000000
   (2)   0.000000  -0.000000   1.000000
   (3)   0.669408   0.742895   0.000000
 w=    0.085645 a.u., Optical Rotation Beta=    -12.4332 au.
 Molar Mass =    325.0550 grams/mole, [Alpha] ( 5320.0 A) =    -1814.05 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  232221 ScalPx= 1.52D+03
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  232221 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.78D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.41D-13 2.78D-09 XBig12= 1.00D+00 3.46D-01.
     30 vectors produced by pass  1 Test12= 1.41D-13 2.78D-09 XBig12= 3.79D-01 2.45D-01.
     30 vectors produced by pass  2 Test12= 1.41D-13 2.78D-09 XBig12= 1.40D-02 2.75D-02.
     30 vectors produced by pass  3 Test12= 1.41D-13 2.78D-09 XBig12= 7.33D-04 5.10D-03.
     30 vectors produced by pass  4 Test12= 1.41D-13 2.78D-09 XBig12= 3.37D-05 1.24D-03.
     30 vectors produced by pass  5 Test12= 1.41D-13 2.78D-09 XBig12= 1.44D-06 2.33D-04.
     30 vectors produced by pass  6 Test12= 1.41D-13 2.78D-09 XBig12= 5.58D-08 3.71D-05.
     30 vectors produced by pass  7 Test12= 1.41D-13 2.78D-09 XBig12= 1.10D-09 4.38D-06.
     30 vectors produced by pass  8 Test12= 1.41D-13 2.78D-09 XBig12= 1.94D-11 5.48D-07.
     28 vectors produced by pass  9 Test12= 1.41D-13 2.78D-09 XBig12= 3.73D-13 7.04D-08.
     16 vectors produced by pass 10 Test12= 1.41D-13 2.78D-09 XBig12= 3.66D-14 1.20D-08.
     10 vectors produced by pass 11 Test12= 1.41D-13 2.78D-09 XBig12= 2.00D-14 1.36D-08.
      6 vectors produced by pass 12 Test12= 1.41D-13 2.78D-09 XBig12= 1.05D-14 6.95D-09.
      6 vectors produced by pass 13 Test12= 1.41D-13 2.78D-09 XBig12= 4.69D-14 2.97D-08.
      6 vectors produced by pass 14 Test12= 1.41D-13 2.78D-09 XBig12= 6.75D-14 2.29D-08.
      4 vectors produced by pass 15 Test12= 1.41D-13 2.78D-09 XBig12= 5.99D-14 2.04D-08.
      3 vectors produced by pass 16 Test12= 1.41D-13 2.78D-09 XBig12= 1.30D-14 6.41D-09.
      2 vectors produced by pass 17 Test12= 1.41D-13 2.78D-09 XBig12= 9.40D-15 8.46D-09.
      1 vectors produced by pass 18 Test12= 1.41D-13 2.78D-09 XBig12= 2.24D-15 5.30D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.22D-15
 Solved reduced A of dimension   352 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  232221 ScalPx= 5.48D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  232221 ScalPx= 5.48D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  232221 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.72D+04
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.148941D+03 -0.101532D+02  0.000000D+00
      2  -0.101532D+02  0.312159D+03  0.000000D+00
      3   0.000000D+00  0.000000D+00  0.383181D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.409997D+02 -0.125719D+03  0.000000D+00
      2   0.327257D+02  0.213265D+02  0.000000D+00
      3   0.000000D+00  0.000000D+00 -0.250267D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.000000D+00  0.000000D+00 -0.228802D+03
      2   0.000000D+00  0.000000D+00  0.258742D+03
      3   0.000000D+00  0.000000D+00 -0.299398D+02
      4   0.000000D+00  0.000000D+00 -0.652444D+02
      5  -0.721489D+02 -0.400309D+02  0.000000D+00
      6  -0.846867D+02  0.551167D+03  0.000000D+00
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   117 ND12= 1 LenFil=    4215:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.000000D+00  0.000000D+00 -0.106538D+01  0.000000D+00  0.000000D+00
      2   0.000000D+00  0.272052D-05 -0.442734D+00  0.000000D+00  0.000000D+00
      3  -0.106538D+01 -0.442734D+00  0.000000D+00  0.353642D+00 -0.939018D+00
                 6             7             8             9            10 
      1   0.353642D+00 -0.235558D+00  0.157124D+01  0.000000D+00  0.154771D+00
      2  -0.939018D+00  0.157124D+01 -0.143416D+02  0.000000D+00 -0.164677D+01
      3   0.000000D+00  0.000000D+00  0.000000D+00 -0.172309D+02  0.622823D+00
                11            12            13            14            15 
      1  -0.164677D+01  0.622823D+00  0.145435D+00  0.746199D+00  0.145407D+01
      2   0.129933D+01 -0.465765D+00  0.746199D+00 -0.934180D+01 -0.422378D+01
      3  -0.465765D+00 -0.147561D+01  0.145407D+01 -0.422378D+01 -0.166236D+02
                16            17            18            19            20 
      1  -0.613630D+00  0.355982D+00 -0.230195D+01  0.785979D+00 -0.328228D+01
      2   0.355982D+00 -0.199632D+02  0.388741D+01 -0.328228D+01  0.188173D+01
      3  -0.230195D+01  0.388741D+01  0.258998D+02 -0.248109D+01  0.541529D+00
                21            22            23            24            25 
      1  -0.248109D+01 -0.151564D+01  0.555155D+01  0.807875D+01 -0.502944D+00
      2   0.541529D+00  0.555155D+01 -0.445685D+02 -0.552985D+02  0.191771D+01
      3  -0.405294D+01  0.807875D+01 -0.552985D+02 -0.759609D+02  0.401293D+01
                26            27            28            29            30 
      1   0.191771D+01  0.401293D+01 -0.785979D+00  0.328228D+01 -0.248109D+01
      2  -0.109716D+00 -0.125971D+02  0.328228D+01 -0.188174D+01  0.541528D+00
      3  -0.125971D+02 -0.241822D+02 -0.248109D+01  0.541528D+00  0.405294D+01
                31            32            33            34            35 
      1   0.151564D+01 -0.555155D+01  0.807875D+01 -0.502944D+00  0.191771D+01
      2  -0.555155D+01  0.445685D+02 -0.552985D+02  0.191771D+01 -0.109716D+00
      3   0.807875D+01 -0.552985D+02  0.759609D+02 -0.401293D+01  0.125971D+02
                36            37            38            39            40 
      1  -0.401293D+01 -0.154771D+00  0.164677D+01  0.622822D+00 -0.145435D+00
      2   0.125971D+02  0.164677D+01 -0.129933D+01 -0.465765D+00 -0.746199D+00
      3  -0.241822D+02  0.622822D+00 -0.465765D+00  0.147561D+01  0.145407D+01
                41            42            43            44            45 
      1  -0.746199D+00  0.145407D+01 -0.613630D+00  0.355982D+00  0.230195D+01
      2   0.934180D+01 -0.422378D+01  0.355982D+00 -0.199632D+02 -0.388741D+01
      3  -0.422378D+01  0.166236D+02  0.230195D+01 -0.388741D+01  0.258998D+02
                46            47            48            49            50 
      1  -0.967665D+00  0.110770D+01  0.732590D+01 -0.396077D+01 -0.666953D+00
      2   0.110770D+01 -0.137066D+01  0.768531D+00 -0.666953D+00  0.163692D+02
      3   0.732590D+01  0.768531D+00  0.340148D+01  0.314522D+01 -0.361016D+01
                51            52            53            54            55 
      1   0.314522D+01  0.840143D+00 -0.320239D+00  0.196978D+01  0.148350D+00
      2  -0.361016D+01 -0.320239D+00  0.152567D+02 -0.378451D+01 -0.489039D+00
      3  -0.377630D+02  0.196978D+01 -0.378451D+01 -0.136316D+02 -0.859055D+00
                56            57            58            59            60 
      1  -0.489039D+00 -0.859055D+00 -0.219966D+00 -0.974087D-01  0.198213D+00
      2  -0.189676D+00 -0.173941D-01 -0.974087D-01 -0.202897D+01  0.155241D+01
      3  -0.173941D-01 -0.565764D+00  0.198213D+00  0.155241D+01 -0.252348D+01
                61            62            63            64            65 
      1   0.651537D+00  0.398396D-02 -0.453922D+00 -0.158424D+01  0.431850D+01
      2   0.398396D-02  0.170424D+01 -0.133232D+01  0.431850D+01  0.316472D+00
      3  -0.453922D+00 -0.133232D+01  0.761149D+01  0.625837D+01  0.297079D+00
                66            67            68            69            70 
      1   0.625837D+01  0.223167D+01 -0.176467D-01 -0.335429D+01  0.444308D+01
      2   0.297079D+00 -0.176467D-01 -0.945127D+01  0.130979D+02 -0.719983D-01
      3  -0.658811D-01 -0.335429D+01  0.130979D+02  0.437513D+02  0.229116D+01
                71            72            73            74            75 
      1  -0.719983D-01  0.229116D+01 -0.304543D-02 -0.283580D+00 -0.574018D+00
      2   0.156324D+02 -0.171334D+01 -0.283580D+00 -0.711301D+00 -0.869117D+00
      3  -0.171334D+01 -0.177139D+02 -0.574018D+00 -0.869117D+00 -0.127170D+01
                76            77            78            79            80 
      1   0.390613D+00 -0.492328D+00 -0.499022D+00  0.635394D+00 -0.645404D+00
      2  -0.492328D+00  0.461337D+01  0.441983D+01 -0.645404D+00  0.485064D+01
      3  -0.499022D+00  0.441983D+01  0.466479D+01 -0.107675D+01  0.669336D+01
                81            82            83            84            85 
      1  -0.107675D+01 -0.104477D+01  0.783746D+01  0.304955D+01  0.427524D+01
      2   0.669336D+01  0.783746D+01 -0.878539D-01 -0.137353D+01 -0.109696D+01
      3   0.116512D+02  0.304955D+01 -0.137353D+01 -0.345793D+01 -0.220877D+01
                86            87            88            89            90 
      1  -0.109696D+01 -0.220877D+01 -0.236605D+01 -0.930490D+00 -0.419818D+01
      2   0.150386D+02  0.170520D+02 -0.930490D+00  0.225459D+00  0.212739D+02
      3   0.170520D+02  0.251433D+02 -0.419818D+01  0.212739D+02  0.423264D+02
                91            92            93            94            95 
      1   0.986951D-01 -0.682285D+00 -0.458793D+00  0.661616D+00 -0.623651D+00
      2  -0.682285D+00 -0.526024D+00 -0.207017D+00 -0.623651D+00  0.146531D+02
      3  -0.458793D+00 -0.207017D+00 -0.106346D+00  0.110385D+00 -0.984959D-01
                96            97            98            99           100 
      1   0.110385D+00 -0.422126D-01  0.135646D-01 -0.152544D+00  0.722314D+00
      2  -0.984959D-01  0.135646D-01 -0.324744D+01  0.140017D+01  0.182935D+00
      3  -0.125666D+01 -0.152544D+00  0.140017D+01  0.973673D+00 -0.297164D+01
               101           102           103           104           105 
      1   0.182935D+00 -0.297164D+01 -0.205960D+01  0.172069D+01  0.169988D+01
      2   0.265031D+01  0.349270D+01  0.172069D+01 -0.154152D+02 -0.197416D+02
      3   0.349270D+01  0.556486D+01  0.169988D+01 -0.197416D+02 -0.141852D+02
               106           107           108           109           110 
      1  -0.327467D-02  0.266946D+01  0.434166D+01  0.333963D+00  0.173854D+01
      2   0.266946D+01 -0.247471D+02 -0.314033D+02  0.173854D+01 -0.260273D+01
      3   0.434166D+01 -0.314033D+02 -0.465305D+02 -0.307917D+01 -0.147723D+00
               111           112           113           114           115 
      1  -0.307917D+01  0.107040D+01 -0.484971D+01 -0.664625D+01 -0.244914D+01
      2  -0.147723D+00 -0.484971D+01  0.393956D+02  0.534934D+02 -0.110945D+01
      3   0.149321D+01 -0.664625D+01  0.534934D+02  0.730091D+02 -0.172736D+01
               116           117           118           119           120 
      1  -0.110945D+01 -0.172736D+01  0.125569D+00  0.830452D+00 -0.140751D+00
      2   0.158546D+02  0.183330D+02  0.830452D+00 -0.137950D+00 -0.105019D+01
      3   0.183330D+02  0.213091D+02 -0.140751D+00 -0.105019D+01 -0.150009D+01
               121           122           123           124           125 
      1   0.632282D+00  0.345653D+00 -0.112565D+00 -0.247904D+00 -0.303646D+00
      2   0.345653D+00  0.519550D+01 -0.453147D+01 -0.303646D+00 -0.178522D+01
      3  -0.112565D+00 -0.453147D+01  0.362448D+01 -0.232747D+00  0.539805D+01
               126           127           128           129           130 
      1  -0.232747D+00 -0.814037D+01  0.386238D+01  0.464364D+01  0.214235D+01
      2   0.539805D+01  0.386238D+01 -0.253703D-01 -0.734476D+01 -0.722204D+00
      3  -0.111499D+01  0.464364D+01 -0.734476D+01 -0.101879D+02 -0.243127D+01
               131           132           133           134           135 
      1  -0.722204D+00 -0.243127D+01  0.158936D+01 -0.285704D+01 -0.398164D+01
      2   0.737760D+01  0.520310D+01 -0.285704D+01  0.559958D+01  0.907191D+01
      3   0.520310D+01  0.460165D+01 -0.398164D+01  0.907191D+01  0.246542D+02
               136           137           138           139           140 
      1   0.773413D+01 -0.228412D+01 -0.567082D+01 -0.688866D+00  0.119698D+01
      2  -0.228412D+01  0.176766D+01  0.544214D+01  0.119698D+01 -0.268294D+01
      3  -0.567082D+01  0.544214D+01  0.119258D+02  0.307434D+00 -0.135931D+01
               141           142           143           144           145 
      1   0.307434D+00 -0.345193D+00  0.467298D+00  0.185590D+01  0.622777D+01
      2  -0.135931D+01  0.467298D+00 -0.580853D+00 -0.160631D+01 -0.219278D+01
      3  -0.295749D+00  0.185590D+01 -0.160631D+01 -0.639842D+01 -0.214683D-01
               146           147           148           149           150 
      1  -0.219278D+01 -0.214683D-01 -0.137120D+01 -0.241442D+01  0.202049D+00
      2  -0.338742D+01  0.155502D+01 -0.241442D+01 -0.295977D+01  0.852518D+00
      3   0.155502D+01 -0.245810D+01  0.202049D+00  0.852518D+00  0.763377D+01
               151           152           153           154           155 
      1  -0.287509D+00  0.216839D+00 -0.108835D+01  0.663558D+00  0.183770D+01
      2   0.216839D+00  0.544646D+00  0.305288D+01  0.183770D+01  0.258962D+01
      3  -0.108835D+01  0.305288D+01 -0.503010D+01 -0.555660D+00 -0.855221D+00
               156           157           158           159           160 
      1  -0.555660D+00  0.120359D+01  0.180990D+01 -0.327174D+00 -0.111692D+00
      2  -0.855221D+00  0.180990D+01  0.800124D+01 -0.232829D+01 -0.158166D+00
      3   0.212116D+01 -0.327174D+00 -0.232829D+01  0.236351D+01  0.790697D+00
               161           162           163           164           165 
      1  -0.158166D+00  0.790697D+00 -0.662942D+01  0.183002D+01 -0.135780D+01
      2  -0.524983D+00  0.160487D+01  0.183002D+01 -0.145088D+01  0.503597D+00
      3   0.160487D+01 -0.269992D+00 -0.135780D+01  0.503597D+00 -0.300927D+01
               166           167           168           169           170 
      1   0.830912D+00 -0.996789D+00  0.387368D+00 -0.186264D-01 -0.375354D-01
      2  -0.996789D+00  0.140250D+01 -0.574607D+00 -0.375354D-01 -0.677663D-01
      3   0.387368D+00 -0.574607D+00 -0.880880D+00 -0.111066D+01  0.257768D+00
               171           172           173           174           175 
      1  -0.111066D+01 -0.712912D+01 -0.417736D+00  0.194535D+01  0.204829D+00
      2   0.257768D+00 -0.417736D+00  0.239705D+01 -0.885118D+00  0.179308D+01
      3   0.457996D+00  0.194535D+01 -0.885118D+00  0.478912D+01 -0.618790D+00
               176           177           178           179           180 
      1   0.179308D+01 -0.618790D+00  0.680756D+00 -0.277152D+00  0.256758D+01
      2   0.155103D+01  0.752480D+00 -0.277152D+00  0.981690D+00 -0.647758D+01
      3   0.752480D+00 -0.873716D+01  0.256758D+01 -0.647758D+01  0.333442D+01
               181           182           183           184           185 
      1   0.800170D+01  0.897262D+00 -0.308408D+01 -0.870945D-01  0.850410D+00
      2   0.897262D+00  0.133151D+01 -0.207835D+00  0.850410D+00 -0.205575D+00
      3  -0.308408D+01 -0.207835D+00  0.312364D+01 -0.426377D-01 -0.587976D+00
               186           187           188           189           190 
      1  -0.426377D-01 -0.778372D+00 -0.548480D-01  0.138255D+01 -0.250919D+00
      2  -0.587976D+00 -0.548480D-01 -0.150087D+00  0.849036D+00  0.819211D+00
      3   0.742442D+00  0.138255D+01  0.849036D+00 -0.138271D+01 -0.205860D+01
               191           192           193           194           195 
      1   0.819211D+00 -0.205860D+01  0.522984D+00 -0.751295D+00  0.480581D+00
      2  -0.131322D+01  0.104445D+01 -0.751295D+00  0.270525D+01 -0.359987D+01
      3   0.104445D+01 -0.417919D+01  0.480581D+00 -0.359987D+01  0.626855D+01
               196           197           198           199           200 
      1  -0.955946D+00  0.335502D+00 -0.146710D+01  0.712912D+01  0.417736D+00
      2   0.335502D+00 -0.230289D+01  0.430175D+01  0.417736D+00 -0.239705D+01
      3  -0.146710D+01  0.430175D+01 -0.133485D+02  0.194535D+01 -0.885118D+00
               201           202           203           204           205 
      1   0.194535D+01 -0.204829D+00 -0.179308D+01 -0.618790D+00  0.680756D+00
      2  -0.885118D+00 -0.179308D+01 -0.155103D+01  0.752481D+00 -0.277152D+00
      3  -0.478912D+01 -0.618790D+00  0.752481D+00  0.873716D+01 -0.256758D+01
               206           207           208           209           210 
      1  -0.277152D+00 -0.256758D+01  0.250919D+00 -0.819211D+00 -0.205860D+01
      2   0.981690D+00  0.647758D+01 -0.819211D+00  0.131322D+01  0.104445D+01
      3   0.647758D+01  0.333442D+01 -0.205860D+01  0.104445D+01  0.417919D+01
               211           212           213           214           215 
      1  -0.522984D+00  0.751295D+00  0.480581D+00 -0.955946D+00  0.335502D+00
      2   0.751295D+00 -0.270525D+01 -0.359987D+01  0.335502D+00 -0.230289D+01
      3   0.480581D+00 -0.359987D+01 -0.626855D+01  0.146710D+01 -0.430175D+01
               216           217           218           219           220 
      1   0.146710D+01 -0.800170D+01 -0.897262D+00 -0.308408D+01  0.870944D-01
      2  -0.430175D+01 -0.897262D+00 -0.133151D+01 -0.207835D+00 -0.850410D+00
      3  -0.133485D+02 -0.308408D+01 -0.207835D+00 -0.312364D+01 -0.426377D-01
               221           222           223           224           225 
      1  -0.850410D+00 -0.426377D-01 -0.778372D+00 -0.548480D-01 -0.138255D+01
      2   0.205575D+00 -0.587976D+00 -0.548480D-01 -0.150087D+00 -0.849036D+00
      3  -0.587976D+00 -0.742442D+00 -0.138255D+01 -0.849036D+00 -0.138271D+01
               226           227           228           229           230 
      1  -0.622777D+01  0.219278D+01 -0.214685D-01  0.137120D+01  0.241442D+01
      2   0.219278D+01  0.338742D+01  0.155502D+01  0.241442D+01  0.295977D+01
      3  -0.214685D-01  0.155502D+01  0.245810D+01  0.202049D+00  0.852518D+00
               231           232           233           234           235 
      1   0.202049D+00 -0.287509D+00  0.216839D+00  0.108835D+01  0.662942D+01
      2   0.852518D+00  0.216839D+00  0.544646D+00 -0.305288D+01 -0.183002D+01
      3  -0.763377D+01  0.108835D+01 -0.305288D+01 -0.503009D+01 -0.135780D+01
               236           237           238           239           240 
      1  -0.183002D+01 -0.135780D+01 -0.830912D+00  0.996789D+00  0.387368D+00
      2   0.145088D+01  0.503597D+00  0.996789D+00 -0.140250D+01 -0.574607D+00
      3   0.503597D+00  0.300927D+01  0.387368D+00 -0.574607D+00  0.880880D+00
               241           242           243           244           245 
      1  -0.186264D-01 -0.375355D-01  0.111066D+01 -0.663557D+00 -0.183770D+01
      2  -0.375355D-01 -0.677663D-01 -0.257768D+00 -0.183770D+01 -0.258962D+01
      3   0.111066D+01 -0.257768D+00  0.457996D+00 -0.555660D+00 -0.855221D+00
               246           247           248           249           250 
      1  -0.555660D+00 -0.120359D+01 -0.180990D+01 -0.327174D+00 -0.111692D+00
      2  -0.855221D+00 -0.180990D+01 -0.800124D+01 -0.232829D+01 -0.158166D+00
      3  -0.212116D+01 -0.327174D+00 -0.232829D+01 -0.236351D+01 -0.790697D+00
               251           252           253           254           255 
      1  -0.158166D+00 -0.790697D+00  0.814037D+01 -0.386238D+01  0.464364D+01
      2  -0.524983D+00 -0.160487D+01 -0.386238D+01  0.253703D-01 -0.734476D+01
      3  -0.160487D+01 -0.269992D+00  0.464364D+01 -0.734476D+01  0.101879D+02
               256           257           258           259           260 
      1  -0.214235D+01  0.722203D+00 -0.243127D+01  0.158936D+01 -0.285704D+01
      2   0.722203D+00 -0.737761D+01  0.520310D+01 -0.285704D+01  0.559958D+01
      3  -0.243127D+01  0.520310D+01 -0.460165D+01  0.398164D+01 -0.907191D+01
               261           262           263           264           265 
      1   0.398164D+01 -0.773413D+01  0.228412D+01 -0.567082D+01  0.688866D+00
      2  -0.907191D+01  0.228412D+01 -0.176766D+01  0.544214D+01 -0.119698D+01
      3   0.246542D+02 -0.567082D+01  0.544214D+01 -0.119258D+02  0.307434D+00
               266           267           268           269           270 
      1  -0.119698D+01  0.307434D+00 -0.345193D+00  0.467298D+00 -0.185590D+01
      2   0.268294D+01 -0.135931D+01  0.467298D+00 -0.580853D+00  0.160631D+01
      3  -0.135931D+01  0.295749D+00 -0.185590D+01  0.160631D+01 -0.639842D+01
               271           272           273           274           275 
      1  -0.333963D+00 -0.173854D+01 -0.307917D+01 -0.107040D+01  0.484971D+01
      2  -0.173854D+01  0.260273D+01 -0.147722D+00  0.484971D+01 -0.393956D+02
      3  -0.307917D+01 -0.147722D+00 -0.149321D+01 -0.664625D+01  0.534934D+02
               276           277           278           279           280 
      1  -0.664625D+01 -0.244914D+01 -0.110945D+01  0.172736D+01 -0.125569D+00
      2   0.534934D+02 -0.110945D+01  0.158546D+02 -0.183330D+02 -0.830452D+00
      3  -0.730091D+02  0.172736D+01 -0.183330D+02  0.213091D+02 -0.140751D+00
               281           282           283           284           285 
      1  -0.830452D+00 -0.140751D+00 -0.632282D+00 -0.345653D+00 -0.112565D+00
      2   0.137950D+00 -0.105019D+01 -0.345653D+00 -0.519550D+01 -0.453147D+01
      3  -0.105019D+01  0.150009D+01 -0.112565D+00 -0.453147D+01 -0.362447D+01
               286           287           288           289           290 
      1  -0.247904D+00 -0.303646D+00  0.232747D+00 -0.722314D+00 -0.182935D+00
      2  -0.303646D+00 -0.178522D+01 -0.539805D+01 -0.182935D+00 -0.265031D+01
      3   0.232747D+00 -0.539805D+01 -0.111499D+01 -0.297164D+01  0.349270D+01
               291           292           293           294           295 
      1  -0.297164D+01  0.205960D+01 -0.172069D+01  0.169988D+01 -0.327492D-02
      2   0.349270D+01 -0.172069D+01  0.154152D+02 -0.197416D+02  0.266946D+01
      3  -0.556486D+01  0.169988D+01 -0.197416D+02  0.141852D+02 -0.434166D+01
               296           297           298           299           300 
      1   0.266946D+01 -0.434166D+01  0.104477D+01 -0.783746D+01  0.304955D+01
      2  -0.247471D+02  0.314033D+02 -0.783746D+01  0.878533D-01 -0.137353D+01
      3   0.314033D+02 -0.465305D+02  0.304955D+01 -0.137353D+01  0.345793D+01
               301           302           303           304           305 
      1  -0.427524D+01  0.109696D+01 -0.220877D+01 -0.236605D+01 -0.930490D+00
      2   0.109696D+01 -0.150386D+02  0.170520D+02 -0.930490D+00  0.225459D+00
      3  -0.220877D+01  0.170520D+02 -0.251433D+02  0.419818D+01 -0.212739D+02
               306           307           308           309           310 
      1   0.419818D+01 -0.986950D-01  0.682285D+00 -0.458793D+00 -0.661616D+00
      2  -0.212739D+02  0.682285D+00  0.526024D+00 -0.207017D+00  0.623651D+00
      3   0.423264D+02 -0.458793D+00 -0.207017D+00  0.106346D+00  0.110385D+00
               311           312           313           314           315 
      1   0.623651D+00  0.110385D+00 -0.422126D-01  0.135646D-01  0.152544D+00
      2  -0.146531D+02 -0.984960D-01  0.135646D-01 -0.324744D+01 -0.140017D+01
      3  -0.984960D-01  0.125666D+01  0.152544D+00 -0.140017D+01  0.973673D+00
               316           317           318           319           320 
      1   0.158424D+01 -0.431850D+01  0.625837D+01 -0.223167D+01  0.176467D-01
      2  -0.431850D+01 -0.316472D+00  0.297079D+00  0.176467D-01  0.945127D+01
      3   0.625837D+01  0.297079D+00  0.658821D-01 -0.335429D+01  0.130979D+02
               321           322           323           324           325 
      1  -0.335429D+01  0.444308D+01 -0.719984D-01 -0.229116D+01  0.304536D-02
      2   0.130979D+02 -0.719984D-01  0.156324D+02  0.171334D+01  0.283580D+00
      3  -0.437513D+02 -0.229116D+01  0.171334D+01 -0.177139D+02 -0.574018D+00
               326           327           328           329           330 
      1   0.283580D+00 -0.574018D+00 -0.390613D+00  0.492328D+00 -0.499022D+00
      2   0.711301D+00 -0.869117D+00  0.492328D+00 -0.461337D+01  0.441983D+01
      3  -0.869117D+00  0.127170D+01 -0.499022D+00  0.441983D+01 -0.466479D+01
               331           332           333           334           335 
      1   0.635394D+00 -0.645404D+00  0.107675D+01  0.967666D+00 -0.110771D+01
      2  -0.645404D+00  0.485064D+01 -0.669336D+01 -0.110771D+01  0.137066D+01
      3   0.107675D+01 -0.669336D+01  0.116512D+02  0.732590D+01  0.768531D+00
               336           337           338           339           340 
      1   0.732590D+01  0.396077D+01  0.666954D+00  0.314522D+01  0.840143D+00
      2   0.768531D+00  0.666954D+00 -0.163692D+02 -0.361016D+01 -0.320239D+00
      3  -0.340148D+01  0.314522D+01 -0.361016D+01  0.377630D+02 -0.196978D+01
               341           342           343           344           345 
      1  -0.320239D+00 -0.196978D+01 -0.148350D+00  0.489039D+00 -0.859054D+00
      2   0.152567D+02  0.378451D+01  0.489039D+00  0.189676D+00 -0.173940D-01
      3   0.378451D+01 -0.136316D+02 -0.859054D+00 -0.173940D-01  0.565764D+00
               346           347           348           349           350 
      1   0.219966D+00  0.974088D-01  0.198213D+00  0.651537D+00  0.398393D-02
      2   0.974088D-01  0.202897D+01  0.155241D+01  0.398393D-02  0.170424D+01
      3   0.198213D+00  0.155241D+01  0.252348D+01  0.453922D+00  0.133232D+01
               351 
      1   0.453922D+00
      2   0.133232D+01
      3   0.761149D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.123918D-03  0.238756D-03  0.987177D+01  0.225046D-03  0.152669D-03
      2   0.153304D-03  0.974730D-04  0.203881D+02 -0.657859D-04 -0.266276D-03
      3   0.679870D+00 -0.550904D+02 -0.484636D-04 -0.967303D+01  0.977103D+01
                 6             7             8             9            10 
      1  -0.158841D+02 -0.269353D+01  0.109297D+03 -0.109154D-02 -0.379164D+01
      2   0.121844D+01  0.190581D+01 -0.140415D+02 -0.310521D-03 -0.384561D+01
      3   0.343483D-04 -0.231643D-04 -0.187350D-03 -0.188540D+01 -0.583860D+00
                11            12            13            14            15 
      1   0.861959D-01  0.747126D+00 -0.613412D+01 -0.387247D+02  0.173141D+03
      2   0.420178D+02  0.198280D+02 -0.182207D+01 -0.147932D+01  0.478479D+01
      3  -0.156171D+02  0.278586D+02  0.810840D+01 -0.163054D+01  0.388633D+01
                16            17            18            19            20 
      1   0.254588D+02 -0.271635D+03 -0.258436D+03  0.181596D+02 -0.208982D+01
      2   0.411666D+01 -0.462297D+01 -0.344361D+01  0.329488D+01 -0.685080D+02
      3   0.174062D+01  0.500062D+00 -0.654087D+01  0.488164D+01 -0.232939D+02
                21            22            23            24            25 
      1   0.120681D+02 -0.290542D+02  0.975226D+02  0.465102D+03 -0.291447D+02
      2  -0.182431D+02 -0.982841D+01 -0.138130D+02  0.683474D+00 -0.112061D+02
      3  -0.625515D+02  0.884375D+01 -0.637131D+01 -0.313509D+01  0.149881D+01
                26            27            28            29            30 
      1   0.214888D+03  0.181411D+03 -0.181595D+02  0.208987D+01  0.120679D+02
      2   0.463704D+01 -0.245516D+00 -0.329483D+01  0.685080D+02 -0.182431D+02
      3   0.146418D+01 -0.460115D+01  0.488166D+01 -0.232939D+02  0.625515D+02
                31            32            33            34            35 
      1   0.290542D+02 -0.975226D+02  0.465102D+03 -0.291447D+02  0.214888D+03
      2   0.982842D+01  0.138130D+02  0.683503D+00 -0.112061D+02  0.463707D+01
      3   0.884370D+01 -0.637132D+01  0.313510D+01 -0.149886D+01 -0.146421D+01
                36            37            38            39            40 
      1  -0.181411D+03  0.379163D+01 -0.861429D-01  0.747260D+00  0.613410D+01
      2   0.245519D+00  0.384561D+01 -0.420178D+02  0.198280D+02  0.182206D+01
      3  -0.460114D+01 -0.583851D+00 -0.156171D+02 -0.278586D+02  0.810841D+01
                41            42            43            44            45 
      1   0.387248D+02  0.173141D+03  0.254588D+02 -0.271635D+03  0.258436D+03
      2   0.147931D+01  0.478480D+01  0.411665D+01 -0.462297D+01  0.344359D+01
      3  -0.163052D+01 -0.388632D+01 -0.174061D+01 -0.500023D+00 -0.654088D+01
                46            47            48            49            50 
      1  -0.381666D+02 -0.385685D+01 -0.154761D+02 -0.172451D+02  0.185170D+02
      2   0.164477D+01 -0.889468D+01 -0.215513D+02  0.132103D+02  0.165723D+01
      3  -0.625479D+00 -0.533508D+01  0.476840D+01 -0.784703D+01 -0.765898D+00
                51            52            53            54            55 
      1   0.233929D+03 -0.138201D+02  0.105798D+03  0.117332D+03  0.618869D+01
      2   0.276605D+01 -0.703451D+01  0.225924D+01  0.666335D+00 -0.413803D+00
      3   0.383161D+01  0.120086D+01 -0.171993D+00  0.472903D+01 -0.328087D+00
                56            57            58            59            60 
      1   0.377495D+00 -0.563987D+00 -0.449570D+00 -0.275314D+02  0.242018D+02
      2   0.236325D+01  0.488901D+01  0.180295D+01 -0.815503D+00  0.495519D+00
      3   0.309824D+00  0.677614D+01  0.950426D+00 -0.584581D+00  0.998994D+00
                61            62            63            64            65 
      1   0.264575D+01  0.150192D+02 -0.307630D+02 -0.172546D+02  0.356668D+01
      2  -0.338332D+01  0.478286D+00  0.162806D-01  0.279686D+01 -0.184659D+02
      3  -0.408161D+00  0.352963D+00 -0.923017D+00 -0.321472D+01  0.254484D+01
                66            67            68            69            70 
      1   0.518339D+01  0.206097D+02 -0.116698D+03 -0.257928D+03 -0.106103D+02
      2  -0.848686D+01 -0.458050D+01 -0.256068D+01 -0.255635D+01 -0.179799D+02
      3   0.154095D+02  0.235635D+01 -0.130329D+01 -0.666954D+01  0.199053D+02
                71            72            73            74            75 
      1   0.472305D+02  0.115476D+03  0.274999D+01  0.509740D+00  0.166071D+01
      2  -0.452983D+00 -0.148987D+01  0.316503D+00  0.422035D+01  0.398211D+01
      3   0.126475D+01  0.444229D+01 -0.192371D+00 -0.310890D+01 -0.327880D+01
                76            77            78            79            80 
      1   0.377161D+00 -0.173479D+01 -0.313919D+01  0.214409D+01 -0.596727D+01
      2  -0.251108D+01  0.531869D+00  0.439452D+00 -0.484495D+01  0.629287D+00
      3   0.267009D+01 -0.349072D+00 -0.653175D+00  0.377106D+01 -0.834585D+00
                81            82            83            84            85 
      1  -0.240612D+02  0.144484D+01  0.900420D+01  0.145033D+02  0.918385D+01
      2   0.559795D+00 -0.127267D+01 -0.296302D+01  0.247795D+02 -0.590857D+01
      3  -0.188310D+01 -0.225533D+01  0.261945D+02  0.171168D+02  0.168845D+02
                86            87            88            89            90 
      1  -0.603974D+02 -0.120562D+03  0.193041D+02 -0.141032D+03 -0.201609D+03
      2   0.179085D+01  0.149555D+01  0.182910D+02  0.309858D+01  0.569829D+01
      3   0.932515D+00 -0.174988D+01 -0.138801D+02 -0.843727D+00 -0.589015D+01
                91            92            93            94            95 
      1   0.827028D+00  0.344708D+00  0.626720D+00 -0.195076D+01  0.275459D+02
      2  -0.121041D+00  0.113267D-01  0.323144D-01 -0.559445D+00  0.159761D+01
      3   0.508974D+00 -0.776804D+01 -0.510209D+01  0.604967D+01  0.318849D+00
                96            97            98            99           100 
      1   0.635406D+01  0.576605D+00 -0.865575D+01 -0.915194D+00  0.997259D+01
      2  -0.795288D-01 -0.388735D+00 -0.479654D+00  0.156627D+00  0.446546D+00
      3   0.207013D-01 -0.133486D+01 -0.939324D+00 -0.567010D+00  0.922772D+00
               101           102           103           104           105 
      1  -0.110825D+02 -0.220631D+02  0.126287D+01  0.545222D+02 -0.448946D+02
      2  -0.381177D+01  0.174729D+02 -0.940323D+00 -0.598446D+01 -0.659343D+01
      3   0.639385D+00 -0.912676D+01 -0.735487D+01  0.601620D+00 -0.217969D+01
               106           107           108           109           110 
      1  -0.193943D+02  0.163543D+03  0.304504D+03  0.124288D+02  0.931137D+01
      2  -0.149021D+02 -0.599635D+01 -0.211973D+00 -0.278701D+01  0.287459D+02
      3   0.680835D+01  0.198543D+00  0.485918D+01  0.371313D+01 -0.194327D+02
               111           112           113           114           115 
      1  -0.264897D+01  0.396136D+02 -0.326744D+03 -0.491639D+03  0.186401D+01
      2   0.401491D+02  0.617991D+01  0.964168D+01  0.948746D+00  0.135841D+02
      3  -0.269928D+02 -0.619366D+01 -0.191463D+01 -0.674551D+01 -0.149122D+02
               116           117           118           119           120 
      1  -0.482764D+02 -0.127529D+03  0.690230D+00  0.122676D+01  0.645363D+01
      2   0.496862D+01  0.308599D+01 -0.341243D+00  0.975750D+01  0.596876D+00
      3   0.153744D+01 -0.123422D+00  0.731662D-01  0.354129D+01  0.943737D+01
               121           122           123           124           125 
      1   0.456817D+00  0.101667D+02 -0.157498D+02  0.179418D+01 -0.270490D+02
      2   0.254543D+01  0.194232D+00 -0.431515D+00 -0.212569D+01  0.101749D+01
      3   0.409912D+01  0.984510D+00 -0.963984D+00 -0.265324D+01 -0.465091D+00
               126           127           128           129           130 
      1  -0.159322D+01 -0.280203D+02  0.526649D+01  0.476273D+02  0.944991D+01
      2   0.993428D-01 -0.180391D+02  0.217996D+02  0.237079D+02  0.677699D+01
      3   0.737602D+00 -0.691358D+01  0.667537D+01  0.151574D+02  0.294976D+01
               131           132           133           134           135 
      1  -0.851610D+02 -0.546563D+02  0.229036D+02 -0.470064D+02 -0.121457D+03
      2   0.568766D+00 -0.487472D+01  0.419108D+01  0.415278D+01  0.707158D+01
      3  -0.105442D+01 -0.720525D-01 -0.370424D+00  0.177571D+01  0.577058D+01
               136           137           138           139           140 
      1   0.191513D+02 -0.145064D+02 -0.481629D+02 -0.466898D+01  0.189007D+02
      2   0.161524D+02 -0.308463D+01 -0.310163D+01 -0.131070D+01 -0.119211D+01
      3   0.588256D+01 -0.457294D+01 -0.339791D+01  0.631815D-01  0.301551D+01
               141           142           143           144           145 
      1   0.189541D+01 -0.510203D+01  0.128405D+02  0.252482D+02  0.883579D+01
      2  -0.651287D+00 -0.158324D+01 -0.239123D+01  0.142211D+00  0.213456D+02
      3   0.276640D+01  0.233727D+00 -0.140183D-01  0.632405D+00  0.107323D+02
               146           147           148           149           150 
      1   0.125626D+02 -0.721904D+01  0.123797D+02  0.123084D+02 -0.197103D+02
      2  -0.601192D+01  0.604709D+01 -0.571093D+01 -0.334859D+01  0.438970D+01
      3  -0.742159D+01  0.376451D+01 -0.102204D+01 -0.381382D+01  0.253324D+01
               151           152           153           154           155 
      1   0.891468D+00 -0.355910D+01 -0.312200D+01 -0.696040D+01 -0.106280D+02
      2  -0.335466D+01  0.264257D+01 -0.758093D+01  0.201095D+01  0.595171D+01
      3   0.148813D+00  0.928405D+00 -0.280184D+01  0.175138D+01  0.315820D+01
               156           157           158           159           160 
      1  -0.147140D+01 -0.737235D+01 -0.332780D+02  0.136087D+01 -0.106991D+01
      2  -0.327813D-01  0.432606D+01  0.568039D+01 -0.750801D+00 -0.932615D+00
      3  -0.144478D+01  0.523272D+01  0.421616D+01 -0.110320D+01 -0.400439D+00
               161           162           163           164           165 
      1  -0.208295D+01 -0.107115D+02 -0.526706D+01  0.536803D+01  0.569199D+01
      2  -0.799518D+00  0.314488D+01 -0.226880D+02  0.670566D+01 -0.147555D+00
      3  -0.597698D+00  0.115255D+01 -0.126398D+02  0.990370D-01 -0.226624D+01
               166           167           168           169           170 
      1   0.348073D+01 -0.545334D+01  0.253426D+01  0.234094D+01  0.416069D+00
      2   0.282640D+01 -0.366389D+01  0.115902D+01 -0.892537D+00 -0.814966D-01
      3   0.206844D+01 -0.138373D+01  0.561201D+00  0.138327D+00  0.305523D+00
               171           172           173           174           175 
      1  -0.453435D+01  0.245668D+00 -0.112440D+02  0.601155D+00 -0.973144D+01
      2  -0.400379D+01 -0.346562D+02 -0.207469D+01  0.157635D+02  0.150393D+01
      3  -0.961619D+00 -0.581226D+01 -0.402507D+01  0.271521D+01  0.160812D+01
               176           177           178           179           180 
      1  -0.140892D+02 -0.130203D+00 -0.826343D+00  0.574913D+01  0.359613D+02
      2   0.885984D+01 -0.577495D+01  0.214203D+01 -0.304663D+01  0.156060D+02
      3   0.161213D+01 -0.240673D+01  0.664141D+00 -0.917408D+00  0.495973D+01
               181           182           183           184           185 
      1  -0.236106D+01 -0.805915D+01 -0.165094D+01 -0.431122D+01  0.250536D+01
      2   0.382769D+02  0.427876D+01 -0.101069D+02 -0.675969D+00  0.380747D+01
      3   0.692050D+01 -0.295974D+01 -0.281140D+01  0.645996D+00  0.112412D+01
               186           187           188           189           190 
      1   0.591512D+00 -0.832291D+00  0.278906D+00 -0.386448D+01 -0.247519D+01
      2   0.642472D-01 -0.381532D+01  0.548291D+00  0.651982D+01 -0.186989D+01
      3   0.410526D+00 -0.528601D+00  0.878131D-01  0.550167D+00 -0.624400D+00
               191           192           193           194           195 
      1   0.741963D+01 -0.842734D+00  0.374400D+01 -0.121104D+02  0.114746D+02
      2   0.389802D+01 -0.100054D+02  0.362030D+01 -0.430703D+01  0.387675D+01
      3  -0.121054D+00 -0.249527D+01  0.197054D+01 -0.105866D+01  0.161053D+01
               196           197           198           199           200 
      1  -0.318623D+00  0.128878D+02 -0.946697D+01 -0.245697D+00  0.112440D+02
      2  -0.808221D+01  0.299793D+01 -0.101620D+02  0.346562D+02  0.207469D+01
      3  -0.193590D+01  0.106682D+01 -0.259846D+01 -0.581226D+01 -0.402507D+01
               201           202           203           204           205 
      1   0.601167D+00  0.973145D+01  0.140892D+02 -0.130191D+00 -0.826336D+00
      2   0.157635D+02 -0.150391D+01 -0.885982D+01 -0.577495D+01  0.214205D+01
      3  -0.271521D+01  0.160813D+01  0.161214D+01  0.240673D+01 -0.664143D+00
               206           207           208           209           210 
      1   0.574914D+01 -0.359613D+02  0.247519D+01 -0.741962D+01 -0.842733D+00
      2  -0.304662D+01 -0.156060D+02  0.186990D+01 -0.389802D+01 -0.100054D+02
      3   0.917393D+00  0.495972D+01 -0.624400D+00 -0.121054D+00  0.249527D+01
               211           212           213           214           215 
      1  -0.374400D+01  0.121104D+02  0.114746D+02 -0.318622D+00  0.128878D+02
      2  -0.362030D+01  0.430703D+01  0.387675D+01 -0.808221D+01  0.299793D+01
      3   0.197054D+01 -0.105866D+01 -0.161053D+01  0.193590D+01 -0.106681D+01
               216           217           218           219           220 
      1   0.946696D+01  0.236106D+01  0.805915D+01 -0.165092D+01  0.431122D+01
      2   0.101620D+02 -0.382769D+02 -0.427876D+01 -0.101069D+02  0.675964D+00
      3  -0.259846D+01  0.692050D+01 -0.295974D+01  0.281140D+01  0.645996D+00
               221           222           223           224           225 
      1  -0.250537D+01  0.591517D+00 -0.832293D+00  0.278903D+00  0.386449D+01
      2  -0.380748D+01  0.642462D-01 -0.381533D+01  0.548289D+00 -0.651981D+01
      3   0.112412D+01 -0.410526D+00  0.528599D+00 -0.878128D-01  0.550165D+00
               226           227           228           229           230 
      1  -0.883577D+01 -0.125626D+02 -0.721903D+01 -0.123798D+02 -0.123084D+02
      2  -0.213456D+02  0.601192D+01  0.604709D+01  0.571094D+01  0.334860D+01
      3   0.107323D+02 -0.742160D+01 -0.376450D+01 -0.102204D+01 -0.381384D+01
               231           232           233           234           235 
      1  -0.197103D+02  0.891438D+00 -0.355909D+01  0.312199D+01  0.526707D+01
      2   0.438971D+01 -0.335468D+01  0.264255D+01  0.758091D+01  0.226879D+02
      3  -0.253323D+01 -0.148822D+00 -0.928392D+00 -0.280182D+01 -0.126398D+02
               236           237           238           239           240 
      1  -0.536802D+01  0.569199D+01 -0.348073D+01  0.545335D+01  0.253425D+01
      2  -0.670566D+01 -0.147549D+00 -0.282640D+01  0.366389D+01  0.115902D+01
      3   0.990342D-01  0.226624D+01  0.206843D+01 -0.138372D+01 -0.561200D+00
               241           242           243           244           245 
      1   0.234095D+01  0.416070D+00  0.453435D+01  0.696040D+01  0.106280D+02
      2  -0.892535D+00 -0.814956D-01  0.400379D+01 -0.201094D+01 -0.595171D+01
      3  -0.138326D+00 -0.305523D+00 -0.961619D+00  0.175137D+01  0.315819D+01
               246           247           248           249           250 
      1  -0.147140D+01  0.737234D+01  0.332780D+02  0.136087D+01 -0.106991D+01
      2  -0.327810D-01 -0.432607D+01 -0.568039D+01 -0.750801D+00 -0.932616D+00
      3   0.144478D+01  0.523272D+01  0.421616D+01  0.110320D+01  0.400439D+00
               251           252           253           254           255 
      1  -0.208295D+01  0.107115D+02  0.280202D+02 -0.526670D+01  0.476273D+02
      2  -0.799520D+00 -0.314488D+01  0.180389D+02 -0.217996D+02  0.237078D+02
      3   0.597698D+00  0.115255D+01 -0.691344D+01  0.667549D+01 -0.151574D+02
               256           257           258           259           260 
      1  -0.944983D+01  0.851610D+02 -0.546562D+02  0.229036D+02 -0.470065D+02
      2  -0.677688D+01 -0.568493D+00 -0.487469D+01  0.419107D+01  0.415274D+01
      3   0.294972D+01 -0.105455D+01  0.720244D-01  0.370437D+00 -0.177572D+01
               261           262           263           264           265 
      1   0.121458D+03 -0.191513D+02  0.145064D+02 -0.481629D+02  0.466897D+01
      2  -0.707138D+01 -0.161524D+02  0.308462D+01 -0.310164D+01  0.131071D+01
      3   0.577045D+01  0.588257D+01 -0.457294D+01  0.339791D+01  0.631767D-01
               266           267           268           269           270 
      1  -0.189007D+02  0.189541D+01 -0.510204D+01  0.128405D+02 -0.252482D+02
      2   0.119212D+01 -0.651290D+00 -0.158324D+01 -0.239123D+01 -0.142199D+00
      3   0.301550D+01 -0.276640D+01 -0.233726D+00  0.140186D-01  0.632413D+00
               271           272           273           274           275 
      1  -0.124288D+02 -0.931127D+01 -0.264881D+01 -0.396137D+02  0.326744D+03
      2   0.278699D+01 -0.287458D+02  0.401491D+02 -0.617997D+01 -0.964165D+01
      3   0.371320D+01 -0.194326D+02  0.269928D+02 -0.619368D+01 -0.191483D+01
               276           277           278           279           280 
      1  -0.491639D+03  0.186407D+01 -0.482763D+02  0.127529D+03 -0.690239D+00
      2   0.948807D+00  0.135841D+02  0.496864D+01 -0.308598D+01  0.341238D+00
      3   0.674548D+01  0.149123D+02 -0.153739D+01 -0.123478D+00  0.731683D-01
               281           282           283           284           285 
      1  -0.122675D+01  0.645362D+01 -0.456820D+00 -0.101667D+02 -0.157498D+02
      2  -0.975750D+01  0.596874D+00 -0.254543D+01 -0.194232D+00 -0.431510D+00
      3   0.354130D+01 -0.943738D+01  0.409913D+01  0.984518D+00  0.963982D+00
               286           287           288           289           290 
      1   0.179418D+01 -0.270490D+02  0.159323D+01 -0.997281D+01  0.110824D+02
      2  -0.212569D+01  0.101749D+01 -0.993400D-01 -0.446508D+00  0.381162D+01
      3   0.265324D+01  0.465095D+00  0.737599D+00  0.922825D+00  0.639268D+00
               291           292           293           294           295 
      1  -0.220634D+02 -0.126280D+01 -0.545223D+02 -0.448946D+02 -0.193944D+02
      2   0.174729D+02  0.940328D+00  0.598440D+01 -0.659347D+01 -0.149020D+02
      3   0.912688D+01 -0.735497D+01  0.601608D+00  0.217969D+01 -0.680835D+01
               296           297           298           299           300 
      1   0.163543D+03 -0.304504D+03 -0.144475D+01 -0.900408D+01  0.145033D+02
      2  -0.599637D+01  0.211917D+00  0.127265D+01  0.296311D+01  0.247795D+02
      3  -0.198492D+00  0.485917D+01 -0.225535D+01  0.261946D+02 -0.171168D+02
               301           302           303           304           305 
      1  -0.918390D+01  0.603974D+02 -0.120562D+03  0.193041D+02 -0.141032D+03
      2   0.590860D+01 -0.179085D+01  0.149555D+01  0.182910D+02  0.309858D+01
      3   0.168846D+02  0.932513D+00  0.174986D+01  0.138801D+02  0.843683D+00
               306           307           308           309           310 
      1   0.201609D+03 -0.827037D+00 -0.344699D+00  0.626715D+00  0.195076D+01
      2  -0.569828D+01  0.121044D+00 -0.113338D-01  0.323180D-01  0.559443D+00
      3  -0.589014D+01  0.508972D+00 -0.776804D+01  0.510208D+01  0.604967D+01
               311           312           313           314           315 
      1  -0.275459D+02  0.635405D+01  0.576605D+00 -0.865574D+01  0.915199D+00
      2  -0.159761D+01 -0.795311D-01 -0.388734D+00 -0.479654D+00 -0.156628D+00
      3   0.318852D+00 -0.207027D-01  0.133486D+01  0.939324D+00 -0.567010D+00
               316           317           318           319           320 
      1   0.172547D+02 -0.356661D+01  0.518345D+01 -0.206097D+02  0.116698D+03
      2  -0.279686D+01  0.184659D+02 -0.848686D+01  0.458050D+01  0.256069D+01
      3  -0.321472D+01  0.254484D+01 -0.154095D+02  0.235637D+01 -0.130327D+01
               321           322           323           324           325 
      1  -0.257928D+03 -0.106103D+02  0.472305D+02 -0.115476D+03 -0.274996D+01
      2  -0.255635D+01 -0.179800D+02 -0.453011D+00  0.148987D+01 -0.316502D+00
      3   0.666955D+01 -0.199053D+02 -0.126475D+01  0.444228D+01 -0.192367D+00
               326           327           328           329           330 
      1  -0.509750D+00  0.166071D+01 -0.377159D+00  0.173479D+01 -0.313919D+01
      2  -0.422035D+01  0.398212D+01  0.251108D+01 -0.531870D+00  0.439453D+00
      3  -0.310890D+01  0.327881D+01  0.267009D+01 -0.349072D+00  0.653176D+00
               331           332           333           334           335 
      1   0.214408D+01 -0.596726D+01  0.240611D+02  0.381665D+02  0.385671D+01
      2  -0.484495D+01  0.629286D+00 -0.559795D+00 -0.164475D+01  0.889465D+01
      3  -0.377106D+01  0.834586D+00 -0.188310D+01 -0.625493D+00 -0.533507D+01
               336           337           338           339           340 
      1  -0.154762D+02  0.172450D+02 -0.185171D+02  0.233929D+03 -0.138200D+02
      2  -0.215512D+02 -0.132103D+02 -0.165721D+01  0.276603D+01 -0.703450D+01
      3  -0.476842D+01 -0.784704D+01 -0.765889D+00 -0.383163D+01 -0.120087D+01
               341           342           343           344           345 
      1   0.105798D+03 -0.117332D+03 -0.618869D+01 -0.377489D+00 -0.564000D+00
      2   0.225927D+01 -0.666332D+00  0.413807D+00 -0.236325D+01  0.488902D+01
      3   0.171982D+00  0.472902D+01 -0.328089D+00  0.309826D+00 -0.677615D+01
               346           347           348           349           350 
      1   0.449567D+00  0.275314D+02  0.242018D+02  0.264576D+01  0.150192D+02
      2  -0.180295D+01  0.815498D+00  0.495519D+00 -0.338331D+01  0.478293D+00
      3   0.950427D+00 -0.584581D+00 -0.998994D+00  0.408161D+00 -0.352964D+00
               351 
      1   0.307630D+02
      2  -0.162768D-01
      3  -0.923014D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.341402D+02  0.228951D+00  0.155208D-05  0.139966D+01  0.108669D+02
      2  -0.226081D+02 -0.433669D+01 -0.155686D-05 -0.103983D+01 -0.179258D+02
      3  -0.115320D+02  0.410774D+01  0.000000D+00 -0.359838D+00  0.705897D+01
      4   0.226351D+01  0.346251D+01 -0.245247D-05 -0.145003D+02  0.663538D+00
      5  -0.173708D-05 -0.561059D-05  0.168809D+01 -0.184481D-05  0.000000D+00
      6  -0.346997D-05  0.750465D-05 -0.557088D+00 -0.147185D-05 -0.359301D-05
                 6             7             8             9            10 
      1   0.000000D+00  0.000000D+00  0.000000D+00  0.368537D+02  0.328520D+01
      2  -0.322622D-05  0.125311D-05  0.000000D+00 -0.498282D+01 -0.736121D+01
      3   0.374999D-05 -0.180990D-05  0.000000D+00 -0.318709D+02  0.407601D+01
      4   0.000000D+00  0.000000D+00  0.000000D+00  0.628500D+01 -0.282607D-01
      5   0.289620D+00  0.156835D+01  0.588955D+01 -0.244765D-05  0.150785D+01
      6  -0.307711D+02  0.119022D+02 -0.930937D+02 -0.423854D-05 -0.499581D+01
                11            12            13            14            15 
      1  -0.631245D+00  0.222952D+01 -0.503276D+01  0.151833D+02  0.193401D+02
      2   0.495765D+01 -0.688129D+00  0.233757D+01 -0.383810D+01 -0.674042D+01
      3  -0.432640D+01 -0.154139D+01  0.269519D+01 -0.113452D+02 -0.125997D+02
      4  -0.482694D+01  0.161749D+01  0.148363D+02  0.251910D+01  0.470805D+01
      5  -0.752747D+01 -0.890818D+00  0.591151D+01  0.341775D+01  0.281874D+01
      6   0.406523D+01 -0.830351D+01  0.765961D+01 -0.527033D+02 -0.665651D+02
                16            17            18            19            20 
      1   0.283130D+01  0.331625D+02 -0.234440D+02  0.501222D+01  0.851363D+00
      2   0.398975D+01 -0.817651D+02 -0.353621D+02 -0.776119D+01  0.101641D+02
      3  -0.682105D+01  0.486026D+02  0.588061D+02  0.274897D+01 -0.110155D+02
      4   0.366728D+01  0.405659D+01 -0.669300D+01  0.299916D+01 -0.572879D+01
      5  -0.627159D+01  0.313508D+01 -0.654866D+01  0.137067D+01  0.728789D+01
      6  -0.745147D+01 -0.566050D+02  0.133012D+03 -0.144222D+02  0.254108D+01
                21            22            23            24            25 
      1   0.763486D+01 -0.126734D+02  0.702033D+02  0.111232D+03 -0.745129D+01
      2   0.804016D+00  0.132209D+02 -0.601292D+02 -0.110413D+03  0.101388D+02
      3  -0.843888D+01 -0.547463D+00 -0.100740D+02 -0.818141D+00 -0.268747D+01
      4  -0.522035D+01  0.132036D+02  0.154641D+02  0.215717D+02  0.399766D+01
      5   0.116827D+02  0.205787D+02  0.107760D+02  0.146372D+02  0.186850D+02
      6  -0.310270D+02  0.399977D+02 -0.284570D+03 -0.409101D+03  0.117562D+02
                26            27            28            29            30 
      1   0.939993D+01  0.248436D+02  0.501222D+01  0.851363D+00 -0.763486D+01
      2  -0.282076D+02 -0.627619D+02 -0.776120D+01  0.101641D+02 -0.804017D+00
      3   0.188076D+02  0.379183D+02  0.274898D+01 -0.110155D+02  0.843888D+01
      4   0.279440D+01  0.591532D+01  0.299916D+01 -0.572879D+01  0.522035D+01
      5  -0.840294D+01 -0.525674D+01 -0.137067D+01 -0.728788D+01  0.116827D+02
      6  -0.143864D+01 -0.116274D+03  0.144222D+02 -0.254108D+01 -0.310270D+02
                31            32            33            34            35 
      1  -0.126734D+02  0.702033D+02 -0.111232D+03  0.745129D+01 -0.939993D+01
      2   0.132209D+02 -0.601292D+02  0.110413D+03 -0.101388D+02  0.282076D+02
      3  -0.547462D+00 -0.100740D+02  0.818141D+00  0.268747D+01 -0.188076D+02
      4   0.132036D+02  0.154641D+02 -0.215717D+02 -0.399766D+01 -0.279440D+01
      5  -0.205787D+02 -0.107760D+02  0.146372D+02  0.186850D+02 -0.840294D+01
      6  -0.399977D+02  0.284570D+03 -0.409101D+03  0.117562D+02 -0.143864D+01
                36            37            38            39            40 
      1   0.248436D+02  0.328520D+01 -0.631246D+00 -0.222952D+01 -0.503276D+01
      2  -0.627619D+02 -0.736120D+01  0.495765D+01  0.688129D+00  0.233757D+01
      3   0.379183D+02  0.407601D+01 -0.432641D+01  0.154139D+01  0.269519D+01
      4   0.591532D+01 -0.282618D-01 -0.482694D+01 -0.161749D+01  0.148363D+02
      5   0.525674D+01 -0.150785D+01  0.752747D+01 -0.890818D+00 -0.591151D+01
      6   0.116274D+03  0.499581D+01 -0.406523D+01 -0.830351D+01 -0.765961D+01
                41            42            43            44            45 
      1   0.151833D+02 -0.193401D+02 -0.283130D+01 -0.331625D+02 -0.234440D+02
      2  -0.383810D+01  0.674042D+01 -0.398975D+01  0.817651D+02 -0.353621D+02
      3  -0.113452D+02  0.125997D+02  0.682105D+01 -0.486026D+02  0.588061D+02
      4   0.251910D+01 -0.470805D+01 -0.366728D+01 -0.405659D+01 -0.669300D+01
      5  -0.341775D+01  0.281874D+01 -0.627159D+01  0.313508D+01  0.654866D+01
      6   0.527033D+02 -0.665651D+02 -0.745147D+01 -0.566050D+02 -0.133012D+03
                46            47            48            49            50 
      1   0.668530D+01  0.152981D+01 -0.882944D+01  0.322662D+01 -0.239727D+02
      2  -0.243907D+02 -0.969380D+01 -0.483725D+01 -0.128891D+02  0.107656D+03
      3   0.177054D+02  0.816399D+01  0.136667D+02  0.966245D+01 -0.836833D+02
      4  -0.119616D+01  0.891643D+01  0.294131D+02 -0.170535D+02 -0.508725D+01
      5  -0.506780D+01  0.117468D+02  0.585307D+02 -0.287307D+02 -0.146483D+01
      6   0.268440D+02 -0.154745D+01  0.183285D+02  0.790383D+01  0.388507D+02
                51            52            53            54            55 
      1   0.190339D+02 -0.169843D+01 -0.302208D+02  0.120072D+02  0.983290D+00
      2   0.107264D+03 -0.371392D+01  0.577247D+02  0.192743D+01 -0.129023D+01
      3  -0.126298D+03  0.541234D+01 -0.275039D+02 -0.139347D+02  0.306943D+00
      4   0.497417D+01  0.952294D+00 -0.281310D+01  0.699210D+01  0.512976D+00
      5   0.114502D+02  0.130911D+02 -0.332601D+01  0.684829D+01  0.601270D+00
      6  -0.179779D+03  0.589097D+01  0.428441D+02 -0.773688D+02 -0.552870D+01
                56            57            58            59            60 
      1   0.403209D+00  0.193522D+01 -0.116200D+00 -0.185228D+01  0.481702D+01
      2  -0.243534D+00  0.173290D+01 -0.121317D+01 -0.133004D+02  0.205570D+02
      3  -0.159675D+00 -0.366812D+01  0.132937D+01  0.151527D+02 -0.253740D+02
      4  -0.759211D+00 -0.359654D+01  0.969656D+00  0.733387D+00 -0.944910D+00
      5  -0.346100D+01 -0.548563D+01 -0.279871D+01 -0.483512D+00  0.152334D+01
      6  -0.118067D+01 -0.767584D+00 -0.593889D+00 -0.617955D+01  0.268046D+01
                61            62            63            64            65 
      1   0.430604D+00  0.150782D+01 -0.182685D+02 -0.248699D+01 -0.586456D+01
      2   0.255157D+01  0.122986D+02 -0.416882D+02 -0.686566D+01  0.220335D+00
      3  -0.298217D+01 -0.138064D+02  0.599567D+02  0.935265D+01  0.564422D+01
      4   0.410839D+00 -0.711115D+00  0.952803D-01 -0.876118D+01  0.344246D+02
      5   0.653850D+01  0.365421D+00 -0.459669D+01 -0.997597D+01  0.298772D+02
      6  -0.112939D+01  0.860645D+01  0.633659D+01  0.492605D+02  0.524285D+01
                66            67            68            69            70 
      1  -0.848505D+01  0.856129D+00  0.855826D+01 -0.385611D+02 -0.821550D+01
      2   0.411113D+01  0.716162D+01 -0.806183D+02 -0.628774D+02 -0.328767D+01
      3   0.437392D+01 -0.801775D+01  0.720600D+02  0.101439D+03  0.115032D+02
      4   0.381776D+02  0.805327D+01  0.341034D+01 -0.646531D+01  0.400620D+02
      5   0.501362D+02  0.121840D+02  0.127302D+01 -0.828980D+01  0.358968D+02
      6   0.422635D+01 -0.107078D+02  0.145975D+02  0.221142D+03  0.103363D+02
                71            72            73            74            75 
      1  -0.249073D+02  0.142363D+02  0.247724D+00  0.481161D+01  0.649924D+01
      2   0.108621D+03  0.357669D+02  0.438859D+00 -0.109830D+01 -0.153156D+00
      3  -0.837134D+02 -0.500031D+02 -0.686583D+00 -0.371331D+01 -0.634608D+01
      4  -0.153993D+01  0.828805D+01 -0.469273D+00 -0.138076D+01 -0.314206D+01
      5   0.316507D+01  0.100968D+02 -0.566359D+00 -0.204342D+01 -0.345060D+01
      6   0.521457D+02 -0.822987D+02 -0.334944D+01 -0.936183D+01 -0.120894D+02
                76            77            78            79            80 
      1   0.263999D+01 -0.315117D+02 -0.316156D+02  0.410149D+01 -0.376128D+02
      2  -0.143357D+01  0.199322D+02  0.150364D+02  0.109310D+01  0.412429D+01
      3  -0.120642D+01  0.115796D+02  0.165791D+02 -0.519459D+01  0.334885D+02
      4   0.518321D+01 -0.511320D+01 -0.507263D+01  0.577183D+01 -0.547159D+01
      5   0.392387D+01 -0.497964D+01 -0.527169D+01  0.842664D+01 -0.696739D+01
      6  -0.618499D+01  0.586732D+02  0.593741D+02 -0.985229D+01  0.721417D+02
                81            82            83            84            85 
      1  -0.580722D+02 -0.267695D+01 -0.562671D+01  0.402601D+01  0.188275D+01
      2  -0.116501D+02  0.356916D+02  0.730918D+01  0.119316D+01 -0.820165D+00
      3   0.697223D+02 -0.330146D+02 -0.168247D+01 -0.521917D+01 -0.106258D+01
      4  -0.784373D+01 -0.715406D+01  0.724991D+02  0.272321D+02  0.364736D+02
      5  -0.118609D+02  0.126457D+00  0.265230D+02  0.851970D+01  0.107252D+02
      6   0.108776D+03  0.323354D+02 -0.208530D+01 -0.180925D+02 -0.106104D+02
                86            87            88            89            90 
      1  -0.284989D+02 -0.524104D+02  0.114142D+02 -0.958225D+01 -0.562920D+02
      2   0.410468D+02  0.454528D+02  0.266647D-01 -0.461293D+02  0.155959D+02
      3  -0.125479D+02  0.695764D+01 -0.114408D+02  0.557115D+02  0.406961D+02
      4  -0.224119D+01 -0.747918D+01 -0.258732D+02  0.111764D+01 -0.128928D+02
      5  -0.317539D+01 -0.692091D+01 -0.328796D+02 -0.313585D+01 -0.123125D+02
      6   0.114831D+03  0.159114D+03 -0.182979D+02  0.583109D+02  0.223193D+03
                91            92            93            94            95 
      1   0.255537D+00  0.264301D+01  0.958887D+00  0.155128D+01 -0.561790D+02
      2  -0.158382D+01 -0.501918D+01 -0.142475D+01 -0.590732D+01  0.145896D+03
      3   0.132829D+01  0.237617D+01  0.465863D+00  0.435604D+01 -0.897171D+02
      4   0.424173D+00 -0.553010D+01 -0.454794D+01  0.973044D+01 -0.855941D+01
      5   0.170688D+00 -0.172448D+01 -0.132829D+00  0.171389D+01 -0.325956D+00
      6  -0.342902D+01 -0.300369D+01 -0.108281D+01 -0.840155D+00  0.319852D+02
                96            97            98            99           100 
      1  -0.120402D+01 -0.588057D-01  0.826166D+01 -0.555225D+01  0.162237D+02
      2   0.508333D+01  0.791218D+00 -0.338495D+02  0.779426D+01  0.327338D+01
      3  -0.387931D+01 -0.732413D+00  0.255878D+02 -0.224200D+01 -0.194971D+02
      4   0.167646D-01 -0.163125D+01  0.312488D+00 -0.113548D+01  0.311423D+01
      5   0.445859D-02  0.133770D+01 -0.113452D+01 -0.376033D+00 -0.873565D+00
      6   0.714457D+00 -0.110715D+01  0.112371D+02  0.646756D+01 -0.154796D+02
               101           102           103           104           105 
      1  -0.686923D+01 -0.109075D+02 -0.209072D+01  0.297240D+02  0.351035D+02
      2   0.788980D+01  0.948689D+01  0.588837D+01 -0.565884D+02 -0.692182D+02
      3  -0.102057D+01  0.142065D+01 -0.379765D+01  0.268644D+02  0.341146D+02
      4   0.926277D+01 -0.161276D+02 -0.151408D+02  0.728299D+01  0.525029D+01
      5   0.166334D+01  0.366366D+01  0.220263D+01  0.353011D+01  0.414141D+01
      6   0.164174D+02  0.312585D+02  0.842317D+01 -0.103430D+03 -0.923384D+02
               106           107           108           109           110 
      1  -0.899089D+01  0.412296D+02  0.528094D+02  0.137860D+02  0.467301D+00
      2   0.766470D+01 -0.418222D+02 -0.621214D+02  0.393353D+01 -0.268520D+01
      3   0.132619D+01  0.592632D+00  0.931195D+01 -0.177195D+02  0.221790D+01
      4   0.110500D+02  0.831209D+01  0.104459D+02  0.352958D+01  0.904877D+01
      5   0.262689D+02  0.805293D+01  0.125468D+02  0.248493D+01 -0.586526D+01
      6   0.197274D+02 -0.152070D+03 -0.268528D+03 -0.164888D+02 -0.874848D+00
               111           112           113           114           115 
      1  -0.486871D+01  0.965521D+01 -0.614224D+02 -0.104050D+03  0.370171D+01
      2   0.218760D+01 -0.997996D+01  0.544262D+02  0.117594D+03 -0.334856D+01
      3   0.268111D+01  0.324753D+00  0.699621D+01 -0.135442D+02 -0.353147D+00
      4  -0.211713D+02 -0.954492D+01 -0.147934D+02 -0.168611D+02 -0.309348D+02
      5  -0.257227D+01 -0.156694D+02 -0.112870D+02 -0.183804D+02 -0.241676D+02
      6   0.107656D+02 -0.313749D+02  0.272529D+03  0.383821D+03 -0.623287D+01
               116           117           118           119           120 
      1  -0.245521D+02 -0.822294D+01 -0.106864D+01  0.161346D+01  0.321776D+01
      2   0.158670D+02  0.376101D+02  0.310056D+01  0.103547D+01 -0.237382D+01
      3   0.868505D+01 -0.293872D+02 -0.203193D+01 -0.264893D+01 -0.843941D+00
      4  -0.600295D+00 -0.152173D+01  0.108576D+01  0.759359D+01 -0.134279D+01
      5  -0.502835D+01 -0.597890D+01 -0.212712D+00 -0.181675D+01  0.280175D+01
      6   0.645051D+02  0.134392D+03 -0.180159D+01 -0.519818D+01 -0.707281D+01
               121           122           123           124           125 
      1  -0.271098D+00 -0.132428D+02  0.107404D+02  0.677109D+00  0.419850D+01
      2   0.138642D+01  0.403363D+02 -0.276697D+02 -0.801660D+00 -0.145320D+02
      3  -0.111532D+01 -0.270935D+02  0.169292D+02  0.124550D+00  0.103334D+02
      4   0.682191D+01  0.298767D+01 -0.121633D+01 -0.289993D+01 -0.200283D+01
      5  -0.308334D+01  0.356699D+00 -0.442694D+00  0.223129D+01 -0.568155D+00
      6  -0.608394D+00 -0.359167D+02  0.305660D+02 -0.980162D+00  0.353596D+02
               126           127           128           129           130 
      1  -0.155516D+02 -0.216198D+02  0.154843D+02  0.421910D+02  0.667926D+01
      2   0.159542D+02  0.193446D+02 -0.269038D+02 -0.409567D+02 -0.537494D+01
      3  -0.402640D+00  0.227517D+01  0.114195D+02 -0.123430D+01 -0.130432D+01
      4   0.524733D+00 -0.122180D+02  0.794495D+01  0.912161D+01  0.168444D+01
      5  -0.663215D+00  0.343163D+02 -0.178709D+02 -0.172359D+02 -0.123236D+02
      6  -0.925085D+01  0.152285D+02 -0.249970D+02 -0.286663D+02 -0.125013D+02
               131           132           133           134           135 
      1   0.147720D-01 -0.250527D+02  0.118782D+02 -0.181388D+02 -0.210437D+02
      2   0.734844D+01  0.136987D+02 -0.965159D+01  0.953113D+01  0.538748D+02
      3  -0.736321D+01  0.113540D+02 -0.222664D+01  0.860763D+01 -0.328310D+02
      4  -0.487641D+00 -0.795854D+01 -0.152250D+01 -0.523860D+01 -0.693652D+01
      5  -0.303241D+00  0.689156D+01 -0.137058D+02  0.822317D+01  0.355096D+01
      6   0.770733D+01  0.284573D+02 -0.179847D+02  0.326244D+02  0.119009D+03
               136           137           138           139           140 
      1   0.422121D+02 -0.139003D+02 -0.254531D+02 -0.316389D+01  0.524476D+01
      2  -0.277161D+02  0.168464D+02  0.370396D+02  0.281822D+01 -0.330180D+01
      3  -0.144961D+02 -0.294613D+01 -0.115865D+02  0.345667D+00 -0.194296D+01
      4   0.104391D+02 -0.345337D+00 -0.860294D+01  0.584731D+01 -0.760870D-01
      5  -0.325838D+02  0.970167D+01  0.251839D+02  0.360251D+01 -0.406748D+01
      6  -0.159503D+02  0.342754D+01  0.435090D+02 -0.216793D+01 -0.240987D+01
               141           142           143           144           145 
      1   0.411124D+01  0.918097D+00 -0.800887D+00  0.566820D+01 -0.768014D+01
      2  -0.173845D+01  0.533324D+01  0.166665D+01 -0.137070D+02 -0.658636D+01
      3  -0.237279D+01 -0.625134D+01 -0.865759D+00  0.803879D+01  0.142665D+02
      4  -0.240659D+01  0.590329D+00  0.758158D+00  0.265573D+01  0.200092D+02
      5  -0.186184D+01  0.873693D+01 -0.178874D+01 -0.692910D+01 -0.437155D+02
      6   0.771049D+01  0.400664D+01 -0.409553D+01 -0.275952D+02  0.150339D+02
               146           147           148           149           150 
      1   0.374610D+01 -0.141568D+02  0.470206D+01  0.629479D+01  0.102436D+02
      2  -0.703782D+01 -0.321121D+01 -0.101854D+02 -0.196772D+02  0.337747D+02
      3   0.329172D+01  0.173680D+02  0.548331D+01  0.133824D+02 -0.440183D+02
      4  -0.955160D+01  0.309280D+01 -0.529631D+01 -0.130363D+02  0.134203D+01
      5   0.143426D+02 -0.912463D+00  0.108187D+02  0.151262D+02 -0.174363D+01
      6   0.133562D+02  0.483266D+00  0.110192D+02  0.428221D+02  0.264485D+01
               151           152           153           154           155 
      1  -0.318945D+01  0.103235D+02 -0.282096D+01  0.129599D+01 -0.280407D+01
      2  -0.463005D+01  0.157862D+02 -0.396998D+01  0.542214D+01  0.104274D+02
      3   0.781950D+01 -0.261096D+02  0.679094D+01 -0.671813D+01 -0.762337D+01
      4  -0.286393D+00  0.958901D+00 -0.492674D+01  0.568989D+01  0.121873D+02
      5   0.294030D+01 -0.205861D+01  0.125125D+02 -0.417024D+01 -0.124002D+02
      6  -0.283996D+01  0.188255D+01 -0.450107D+02 -0.127219D+02 -0.180727D+02
               156           157           158           159           160 
      1   0.574181D+01 -0.317526D+01 -0.167727D+02  0.946974D+01  0.246880D+01
      2   0.378696D+01  0.842400D+01  0.401652D+02 -0.413898D+01  0.241515D+01
      3  -0.952877D+01 -0.524874D+01 -0.233924D+02 -0.533076D+01 -0.488395D+01
      4  -0.411843D+01  0.933267D+01  0.125394D+02 -0.316880D+01 -0.822872D+00
      5   0.555322D+01 -0.876177D+01 -0.122741D+02  0.368569D+01  0.212384D+01
      6   0.838001D+01 -0.115862D+02 -0.568192D+02  0.205705D+02  0.332739D+01
               161           162           163           164           165 
      1   0.504694D+01 -0.543371D+01  0.215628D+02 -0.328619D+01 -0.349850D+01
      2   0.137179D+01  0.402038D+01 -0.517649D+01 -0.303053D+01 -0.103488D+02
      3  -0.641873D+01  0.141332D+01 -0.163863D+02  0.631672D+01  0.138473D+02
      4  -0.976583D+00  0.403381D+01 -0.254728D+02  0.112222D+02 -0.576655D+01
      5   0.179604D+01 -0.635640D+01  0.451552D+02 -0.127116D+02  0.135692D+02
      6   0.130022D+02 -0.619491D+01 -0.171156D+02  0.113712D+02 -0.123031D+02
               166           167           168           169           170 
      1  -0.161326D+01  0.152785D+01 -0.526688D+00 -0.360038D+01 -0.949406D+00
      2  -0.185452D+01  0.442787D+01 -0.542425D+01 -0.393602D+01  0.579254D+00
      3   0.346778D+01 -0.595572D+01  0.595094D+01  0.753640D+01  0.370153D+00
      4   0.736270D+01 -0.450701D+01  0.233391D+01  0.190467D+00 -0.136460D+00
      5  -0.564157D+01  0.674615D+01 -0.319743D+01  0.539603D+01 -0.976771D+00
      6   0.700772D+01 -0.910505D+01  0.274083D+01 -0.332109D+01  0.143526D+01
               171           172           173           174           175 
      1   0.163994D+01 -0.833902D+01 -0.707580D+01  0.259317D+02 -0.322961D+01
      2  -0.165422D+01  0.177990D+02 -0.167197D+01  0.180132D+02 -0.357526D+00
      3   0.142783D-01 -0.945997D+01  0.874777D+01 -0.439449D+02  0.358714D+01
      4  -0.385963D+01 -0.956931D+01  0.487693D+00  0.422990D+01 -0.172901D+00
      5   0.758657D+01  0.688081D+02  0.492840D+01 -0.194615D+02 -0.345771D+01
      6   0.440031D+01  0.578570D+01 -0.194614D+02  0.171654D+02 -0.168540D+02
               176           177           178           179           180 
      1   0.558394D+01 -0.343167D+02  0.113523D+02 -0.261604D+02  0.258653D+02
      2   0.427452D+01 -0.400306D+02  0.113512D+02 -0.318250D+02  0.116688D+02
      3  -0.985846D+01  0.743473D+02 -0.227035D+02  0.579855D+02 -0.375341D+02
      4   0.374751D+01 -0.327334D+01  0.867380D+00 -0.131072D+01  0.559742D+01
      5  -0.178011D+02  0.613306D+01 -0.704267D+01  0.412825D+01 -0.270001D+02
      6  -0.142158D+02 -0.225557D+02  0.801207D+01 -0.170464D+02  0.642895D+02
               181           182           183           184           185 
      1   0.200019D+02  0.205037D+01  0.145249D+01 -0.136597D+00  0.103617D+01
      2  -0.277256D+02  0.432681D+00  0.206430D+02  0.160288D+01 -0.244346D+01
      3   0.772368D+01 -0.248305D+01 -0.220955D+02 -0.146629D+01  0.140729D+01
      4   0.127093D+02  0.543652D+01 -0.568012D+01  0.620018D+01  0.173346D+01
      5  -0.778341D+02 -0.881341D+01  0.362319D+02  0.196070D+01 -0.777357D+01
      6  -0.967044D+01 -0.118920D+02  0.447494D+01 -0.800932D+01  0.716391D+00
               186           187           188           189           190 
      1   0.400214D+01  0.335622D+01  0.404731D+01 -0.315353D+01 -0.545649D+01
      2   0.227734D+01  0.845501D+01  0.407162D+01 -0.985670D+01 -0.108891D+02
      3  -0.627948D+01 -0.118112D+02 -0.811892D+01  0.130102D+02  0.163456D+02
      4  -0.184141D+01 -0.346401D+00 -0.372547D+00  0.137045D+01 -0.185287D+01
      5  -0.317903D-01  0.119384D+02  0.515155D+00 -0.152004D+02  0.453293D+01
      6   0.861907D+01  0.189557D+01  0.453381D+01 -0.914698D+01 -0.108399D+02
               191           192           193           194           195 
      1   0.557425D+01 -0.173425D+02  0.299408D+01 -0.194050D+02  0.304637D+02
      2   0.365379D+01 -0.201321D+02  0.926765D+00 -0.854357D+01  0.231880D+02
      3  -0.922804D+01  0.374746D+02 -0.392084D+01  0.279486D+02 -0.536517D+02
      4   0.344726D+01 -0.587681D+01  0.322978D+01 -0.192480D+01  0.167974D+01
      5  -0.921942D+01  0.250157D+02 -0.626291D+01  0.775912D+01 -0.529032D+01
      6   0.137137D+02 -0.189080D+02  0.811358D+01 -0.330934D+02  0.491595D+02
               196           197           198           199           200 
      1  -0.753498D+01  0.223203D+02 -0.653686D+02 -0.833902D+01 -0.707580D+01
      2  -0.732516D+01  0.188703D+02 -0.666767D+02  0.177990D+02 -0.167197D+01
      3   0.148601D+02 -0.411906D+02  0.132045D+03 -0.945997D+01  0.874778D+01
      4  -0.276755D+01  0.117914D+01 -0.325166D+01 -0.956931D+01  0.487693D+00
      5   0.141420D+02 -0.401517D+01  0.170133D+02 -0.688081D+02 -0.492840D+01
      6  -0.678323D+01  0.352532D+02 -0.683716D+02 -0.578570D+01  0.194614D+02
               201           202           203           204           205 
      1  -0.259317D+02 -0.322961D+01  0.558394D+01  0.343167D+02 -0.113523D+02
      2  -0.180132D+02 -0.357527D+00  0.427452D+01  0.400306D+02 -0.113512D+02
      3   0.439449D+02  0.358714D+01 -0.985846D+01 -0.743473D+02  0.227035D+02
      4  -0.422990D+01 -0.172901D+00  0.374751D+01  0.327334D+01 -0.867380D+00
      5  -0.194615D+02  0.345772D+01  0.178011D+02  0.613306D+01 -0.704267D+01
      6   0.171654D+02  0.168540D+02  0.142158D+02 -0.225557D+02  0.801207D+01
               206           207           208           209           210 
      1   0.261604D+02  0.258653D+02 -0.545649D+01  0.557425D+01  0.173425D+02
      2   0.318250D+02  0.116688D+02 -0.108891D+02  0.365379D+01  0.201321D+02
      3  -0.579855D+02 -0.375341D+02  0.163456D+02 -0.922804D+01 -0.374746D+02
      4   0.131072D+01  0.559742D+01 -0.185287D+01  0.344726D+01  0.587681D+01
      5   0.412825D+01  0.270001D+02 -0.453293D+01  0.921942D+01  0.250157D+02
      6  -0.170464D+02 -0.642895D+02  0.108399D+02 -0.137137D+02 -0.189080D+02
               211           212           213           214           215 
      1   0.299408D+01 -0.194050D+02 -0.304637D+02  0.753498D+01 -0.223203D+02
      2   0.926765D+00 -0.854357D+01 -0.231880D+02  0.732516D+01 -0.188703D+02
      3  -0.392084D+01  0.279486D+02  0.536517D+02 -0.148601D+02  0.411906D+02
      4   0.322978D+01 -0.192480D+01 -0.167974D+01  0.276755D+01 -0.117914D+01
      5   0.626291D+01 -0.775912D+01 -0.529032D+01  0.141420D+02 -0.401517D+01
      6  -0.811358D+01  0.330934D+02  0.491595D+02 -0.678323D+01  0.352532D+02
               216           217           218           219           220 
      1  -0.653686D+02  0.200019D+02  0.205037D+01 -0.145249D+01 -0.136598D+00
      2  -0.666767D+02 -0.277256D+02  0.432681D+00 -0.206430D+02  0.160288D+01
      3   0.132045D+03  0.772368D+01 -0.248305D+01  0.220955D+02 -0.146629D+01
      4  -0.325166D+01  0.127093D+02  0.543652D+01  0.568012D+01  0.620018D+01
      5  -0.170133D+02  0.778341D+02  0.881341D+01  0.362319D+02 -0.196070D+01
      6   0.683716D+02  0.967044D+01  0.118920D+02  0.447494D+01  0.800932D+01
               221           222           223           224           225 
      1   0.103617D+01 -0.400214D+01 -0.335622D+01 -0.404731D+01 -0.315353D+01
      2  -0.244346D+01 -0.227734D+01 -0.845501D+01 -0.407162D+01 -0.985670D+01
      3   0.140729D+01  0.627948D+01  0.118112D+02  0.811892D+01  0.130102D+02
      4   0.173347D+01  0.184141D+01  0.346401D+00  0.372547D+00  0.137045D+01
      5   0.777357D+01 -0.317901D-01  0.119384D+02  0.515155D+00  0.152004D+02
      6  -0.716391D+00  0.861907D+01  0.189558D+01  0.453381D+01  0.914698D+01
               226           227           228           229           230 
      1  -0.768015D+01  0.374609D+01  0.141568D+02  0.470206D+01  0.629479D+01
      2  -0.658636D+01 -0.703781D+01  0.321121D+01 -0.101854D+02 -0.196772D+02
      3   0.142665D+02  0.329172D+01 -0.173680D+02  0.548331D+01  0.133824D+02
      4   0.200092D+02 -0.955160D+01 -0.309280D+01 -0.529631D+01 -0.130363D+02
      5   0.437155D+02 -0.143426D+02 -0.912463D+00 -0.108187D+02 -0.151262D+02
      6  -0.150339D+02 -0.133562D+02  0.483268D+00 -0.110192D+02 -0.428221D+02
               231           232           233           234           235 
      1  -0.102436D+02  0.318945D+01 -0.103235D+02 -0.282096D+01  0.215628D+02
      2  -0.337747D+02  0.463005D+01 -0.157862D+02 -0.396998D+01 -0.517649D+01
      3   0.440183D+02 -0.781950D+01  0.261096D+02  0.679094D+01 -0.163863D+02
      4  -0.134203D+01  0.286392D+00 -0.958901D+00 -0.492674D+01 -0.254728D+02
      5  -0.174363D+01  0.294030D+01 -0.205861D+01 -0.125125D+02 -0.451552D+02
      6   0.264486D+01 -0.283996D+01  0.188255D+01  0.450107D+02  0.171156D+02
               236           237           238           239           240 
      1  -0.328619D+01  0.349850D+01 -0.161326D+01  0.152785D+01  0.526687D+00
      2  -0.303053D+01  0.103488D+02 -0.185452D+01  0.442787D+01  0.542425D+01
      3   0.631672D+01 -0.138473D+02  0.346778D+01 -0.595572D+01 -0.595094D+01
      4   0.112222D+02  0.576655D+01  0.736270D+01 -0.450701D+01 -0.233391D+01
      5   0.127116D+02  0.135692D+02  0.564157D+01 -0.674615D+01 -0.319743D+01
      6  -0.113712D+02 -0.123031D+02 -0.700772D+01  0.910505D+01  0.274083D+01
               241           242           243           244           245 
      1   0.360038D+01  0.949406D+00  0.163994D+01  0.129599D+01 -0.280407D+01
      2   0.393602D+01 -0.579254D+00 -0.165422D+01  0.542214D+01  0.104274D+02
      3  -0.753640D+01 -0.370153D+00  0.142782D-01 -0.671813D+01 -0.762337D+01
      4  -0.190467D+00  0.136460D+00 -0.385963D+01  0.568989D+01  0.121873D+02
      5   0.539603D+01 -0.976771D+00 -0.758657D+01  0.417024D+01  0.124002D+02
      6  -0.332109D+01  0.143526D+01 -0.440031D+01  0.127219D+02  0.180727D+02
               246           247           248           249           250 
      1  -0.574181D+01 -0.317526D+01 -0.167727D+02 -0.946974D+01 -0.246880D+01
      2  -0.378696D+01  0.842400D+01  0.401652D+02  0.413898D+01 -0.241515D+01
      3   0.952877D+01 -0.524874D+01 -0.233924D+02  0.533076D+01  0.488395D+01
      4   0.411843D+01  0.933267D+01  0.125394D+02  0.316880D+01  0.822872D+00
      5   0.555322D+01  0.876177D+01  0.122741D+02  0.368569D+01  0.212384D+01
      6   0.838001D+01  0.115862D+02  0.568192D+02  0.205705D+02  0.332739D+01
               251           252           253           254           255 
      1  -0.504694D+01 -0.543371D+01 -0.216198D+02  0.154843D+02 -0.421910D+02
      2  -0.137179D+01  0.402038D+01  0.193446D+02 -0.269038D+02  0.409567D+02
      3   0.641873D+01  0.141332D+01  0.227517D+01  0.114195D+02  0.123429D+01
      4   0.976584D+00  0.403381D+01 -0.122180D+02  0.794495D+01 -0.912161D+01
      5   0.179604D+01  0.635640D+01 -0.343163D+02  0.178709D+02 -0.172359D+02
      6   0.130022D+02  0.619491D+01 -0.152285D+02  0.249970D+02 -0.286663D+02
               256           257           258           259           260 
      1   0.667927D+01  0.147806D-01  0.250527D+02 -0.118782D+02  0.181388D+02
      2  -0.537494D+01  0.734843D+01 -0.136987D+02  0.965158D+01 -0.953113D+01
      3  -0.130433D+01 -0.736321D+01 -0.113540D+02  0.222664D+01 -0.860763D+01
      4   0.168445D+01 -0.487643D+00  0.795854D+01  0.152249D+01  0.523860D+01
      5   0.123236D+02  0.303241D+00  0.689155D+01 -0.137058D+02  0.822317D+01
      6   0.125013D+02 -0.770733D+01  0.284573D+02 -0.179847D+02  0.326244D+02
               261           262           263           264           265 
      1  -0.210437D+02  0.422121D+02 -0.139003D+02  0.254531D+02 -0.316389D+01
      2   0.538748D+02 -0.277161D+02  0.168464D+02 -0.370396D+02  0.281822D+01
      3  -0.328311D+02 -0.144961D+02 -0.294613D+01  0.115865D+02  0.345667D+00
      4  -0.693652D+01  0.104391D+02 -0.345338D+00  0.860295D+01  0.584731D+01
      5  -0.355096D+01  0.325838D+02 -0.970167D+01  0.251839D+02 -0.360251D+01
      6  -0.119009D+03  0.159503D+02 -0.342754D+01  0.435090D+02  0.216793D+01
               266           267           268           269           270 
      1   0.524476D+01 -0.411124D+01 -0.918096D+00  0.800887D+00  0.566820D+01
      2  -0.330180D+01  0.173845D+01 -0.533324D+01 -0.166665D+01 -0.137070D+02
      3  -0.194296D+01  0.237279D+01  0.625134D+01  0.865758D+00  0.803879D+01
      4  -0.760871D-01  0.240659D+01 -0.590329D+00 -0.758158D+00  0.265573D+01
      5   0.406748D+01 -0.186184D+01  0.873692D+01 -0.178874D+01  0.692910D+01
      6   0.240987D+01  0.771049D+01  0.400664D+01 -0.409553D+01  0.275952D+02
               271           272           273           274           275 
      1   0.137860D+02  0.467300D+00  0.486871D+01  0.965521D+01 -0.614224D+02
      2   0.393353D+01 -0.268520D+01 -0.218760D+01 -0.997996D+01  0.544262D+02
      3  -0.177195D+02  0.221790D+01 -0.268111D+01  0.324756D+00  0.699622D+01
      4   0.352958D+01  0.904878D+01  0.211713D+02 -0.954492D+01 -0.147934D+02
      5  -0.248493D+01  0.586526D+01 -0.257226D+01  0.156694D+02  0.112870D+02
      6   0.164888D+02  0.874841D+00  0.107656D+02  0.313749D+02 -0.272529D+03
               276           277           278           279           280 
      1   0.104050D+03 -0.370171D+01  0.245521D+02 -0.822294D+01 -0.106864D+01
      2  -0.117594D+03  0.334856D+01 -0.158670D+02  0.376101D+02  0.310056D+01
      3   0.135442D+02  0.353149D+00 -0.868505D+01 -0.293872D+02 -0.203193D+01
      4   0.168611D+02  0.309348D+02  0.600293D+00 -0.152173D+01  0.108576D+01
      5  -0.183804D+02 -0.241676D+02 -0.502836D+01  0.597890D+01  0.212711D+00
      6   0.383821D+03 -0.623287D+01  0.645051D+02 -0.134392D+03  0.180159D+01
               281           282           283           284           285 
      1   0.161346D+01 -0.321776D+01 -0.271098D+00 -0.132428D+02 -0.107404D+02
      2   0.103547D+01  0.237382D+01  0.138642D+01  0.403363D+02  0.276697D+02
      3  -0.264893D+01  0.843942D+00 -0.111532D+01 -0.270935D+02 -0.169292D+02
      4   0.759359D+01  0.134279D+01  0.682191D+01  0.298767D+01  0.121633D+01
      5   0.181675D+01  0.280175D+01  0.308334D+01 -0.356698D+00 -0.442694D+00
      6   0.519818D+01 -0.707281D+01  0.608394D+00  0.359167D+02  0.305660D+02
               286           287           288           289           290 
      1  -0.677110D+00 -0.419850D+01 -0.155516D+02  0.162237D+02 -0.686923D+01
      2   0.801660D+00  0.145320D+02  0.159542D+02  0.327338D+01  0.788980D+01
      3  -0.124550D+00 -0.103334D+02 -0.402640D+00 -0.194971D+02 -0.102057D+01
      4   0.289993D+01  0.200283D+01  0.524733D+00  0.311423D+01  0.926276D+01
      5   0.223129D+01 -0.568155D+00  0.663215D+00  0.873562D+00 -0.166334D+01
      6  -0.980162D+00  0.353596D+02  0.925085D+01  0.154796D+02 -0.164174D+02
               291           292           293           294           295 
      1   0.109075D+02 -0.209072D+01  0.297240D+02 -0.351035D+02  0.899089D+01
      2  -0.948688D+01  0.588837D+01 -0.565884D+02  0.692182D+02 -0.766470D+01
      3  -0.142066D+01 -0.379765D+01  0.268644D+02 -0.341146D+02 -0.132619D+01
      4   0.161276D+02 -0.151408D+02  0.728299D+01 -0.525029D+01 -0.110500D+02
      5   0.366366D+01 -0.220263D+01 -0.353011D+01  0.414141D+01  0.262689D+02
      6   0.312585D+02 -0.842316D+01  0.103430D+03 -0.923384D+02  0.197274D+02
               296           297           298           299           300 
      1  -0.412296D+02  0.528094D+02 -0.267695D+01 -0.562671D+01 -0.402601D+01
      2   0.418222D+02 -0.621214D+02  0.356916D+02  0.730919D+01 -0.119317D+01
      3  -0.592634D+00  0.931195D+01 -0.330146D+02 -0.168247D+01  0.521918D+01
      4  -0.831209D+01  0.104459D+02 -0.715406D+01  0.724991D+02 -0.272321D+02
      5   0.805293D+01 -0.125468D+02 -0.126455D+00 -0.265230D+02  0.851970D+01
      6  -0.152070D+03  0.268528D+03 -0.323354D+02  0.208530D+01 -0.180925D+02
               301           302           303           304           305 
      1   0.188275D+01 -0.284989D+02  0.524104D+02 -0.114142D+02  0.958225D+01
      2  -0.820167D+00  0.410468D+02 -0.454528D+02 -0.266642D-01  0.461293D+02
      3  -0.106258D+01 -0.125479D+02 -0.695763D+01  0.114408D+02 -0.557115D+02
      4   0.364736D+02 -0.224119D+01  0.747918D+01  0.258732D+02 -0.111764D+01
      5  -0.107252D+02  0.317539D+01 -0.692090D+01 -0.328796D+02 -0.313585D+01
      6   0.106104D+02 -0.114831D+03  0.159114D+03 -0.182979D+02  0.583109D+02
               306           307           308           309           310 
      1  -0.562920D+02  0.255537D+00  0.264301D+01 -0.958887D+00  0.155128D+01
      2   0.155959D+02 -0.158382D+01 -0.501918D+01  0.142475D+01 -0.590732D+01
      3   0.406961D+02  0.132829D+01  0.237617D+01 -0.465863D+00  0.435604D+01
      4  -0.128928D+02  0.424172D+00 -0.553011D+01  0.454794D+01  0.973044D+01
      5   0.123125D+02 -0.170688D+00  0.172448D+01 -0.132829D+00 -0.171389D+01
      6  -0.223193D+03  0.342902D+01  0.300369D+01 -0.108282D+01  0.840155D+00
               311           312           313           314           315 
      1  -0.561790D+02  0.120402D+01  0.588057D-01 -0.826167D+01 -0.555225D+01
      2   0.145896D+03 -0.508333D+01 -0.791218D+00  0.338495D+02  0.779426D+01
      3  -0.897171D+02  0.387931D+01  0.732412D+00 -0.255878D+02 -0.224200D+01
      4  -0.855941D+01 -0.167646D-01  0.163125D+01 -0.312488D+00 -0.113548D+01
      5   0.325956D+00  0.445855D-02  0.133770D+01 -0.113452D+01  0.376033D+00
      6  -0.319852D+02  0.714457D+00 -0.110715D+01  0.112371D+02 -0.646756D+01
               316           317           318           319           320 
      1  -0.248699D+01 -0.586456D+01  0.848505D+01  0.856129D+00  0.855826D+01
      2  -0.686566D+01  0.220335D+00 -0.411113D+01  0.716162D+01 -0.806183D+02
      3   0.935265D+01  0.564422D+01 -0.437391D+01 -0.801775D+01  0.720600D+02
      4  -0.876118D+01  0.344246D+02 -0.381776D+02  0.805327D+01  0.341034D+01
      5   0.997597D+01 -0.298772D+02  0.501362D+02 -0.121840D+02 -0.127302D+01
      6  -0.492605D+02 -0.524285D+01  0.422635D+01  0.107078D+02 -0.145975D+02
               321           322           323           324           325 
      1   0.385611D+02  0.821550D+01  0.249073D+02  0.142363D+02  0.247724D+00
      2   0.628774D+02  0.328767D+01 -0.108621D+03  0.357669D+02  0.438859D+00
      3  -0.101439D+03 -0.115032D+02  0.837134D+02 -0.500031D+02 -0.686583D+00
      4   0.646531D+01 -0.400620D+02  0.153993D+01  0.828805D+01 -0.469273D+00
      5  -0.828981D+01  0.358968D+02  0.316507D+01 -0.100968D+02  0.566359D+00
      6   0.221142D+03  0.103363D+02  0.521457D+02  0.822987D+02  0.334944D+01
               326           327           328           329           330 
      1   0.481161D+01 -0.649924D+01  0.263999D+01 -0.315117D+02  0.316156D+02
      2  -0.109830D+01  0.153156D+00 -0.143357D+01  0.199322D+02 -0.150364D+02
      3  -0.371331D+01  0.634608D+01 -0.120642D+01  0.115796D+02 -0.165791D+02
      4  -0.138076D+01  0.314206D+01  0.518321D+01 -0.511320D+01  0.507263D+01
      5   0.204342D+01 -0.345060D+01 -0.392388D+01  0.497964D+01 -0.527169D+01
      6   0.936183D+01 -0.120894D+02  0.618499D+01 -0.586732D+02  0.593741D+02
               331           332           333           334           335 
      1  -0.410149D+01  0.376128D+02 -0.580722D+02  0.668530D+01  0.152981D+01
      2  -0.109310D+01 -0.412429D+01 -0.116501D+02 -0.243907D+02 -0.969380D+01
      3   0.519459D+01 -0.334885D+02  0.697223D+02  0.177054D+02  0.816399D+01
      4  -0.577183D+01  0.547159D+01 -0.784373D+01 -0.119616D+01  0.891644D+01
      5   0.842664D+01 -0.696739D+01  0.118609D+02  0.506780D+01 -0.117468D+02
      6  -0.985229D+01  0.721417D+02 -0.108776D+03 -0.268440D+02  0.154745D+01
               336           337           338           339           340 
      1   0.882945D+01  0.322662D+01 -0.239727D+02 -0.190339D+02  0.169843D+01
      2   0.483725D+01 -0.128891D+02  0.107656D+03 -0.107264D+03  0.371392D+01
      3  -0.136667D+02  0.966245D+01 -0.836833D+02  0.126298D+03 -0.541235D+01
      4  -0.294132D+02 -0.170535D+02 -0.508725D+01 -0.497417D+01 -0.952294D+00
      5   0.585307D+02  0.287307D+02  0.146483D+01  0.114502D+02  0.130912D+02
      6   0.183285D+02 -0.790383D+01 -0.388507D+02 -0.179779D+03  0.589097D+01
               341           342           343           344           345 
      1   0.302208D+02  0.120072D+02  0.983290D+00  0.403209D+00 -0.193522D+01
      2  -0.577247D+02  0.192743D+01 -0.129023D+01 -0.243534D+00 -0.173290D+01
      3   0.275039D+02 -0.139347D+02  0.306944D+00 -0.159675D+00  0.366812D+01
      4   0.281310D+01  0.699210D+01  0.512976D+00 -0.759211D+00  0.359654D+01
      5  -0.332601D+01 -0.684829D+01 -0.601270D+00  0.346100D+01 -0.548563D+01
      6   0.428441D+02  0.773688D+02  0.552870D+01  0.118066D+01 -0.767584D+00
               346           347           348           349           350 
      1  -0.116200D+00 -0.185228D+01 -0.481702D+01 -0.430604D+00 -0.150782D+01
      2  -0.121317D+01 -0.133004D+02 -0.205570D+02 -0.255156D+01 -0.122986D+02
      3   0.132937D+01  0.151527D+02  0.253740D+02  0.298217D+01  0.138064D+02
      4   0.969656D+00  0.733387D+00  0.944910D+00 -0.410839D+00  0.711115D+00
      5   0.279871D+01  0.483512D+00  0.152334D+01  0.653850D+01  0.365421D+00
      6   0.593889D+00  0.617955D+01  0.268046D+01 -0.112939D+01  0.860645D+01
               351 
      1  -0.182685D+02
      2  -0.416882D+02
      3   0.599567D+02
      4   0.952805D-01
      5   0.459669D+01
      6  -0.633659D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Tue Sep  7 02:24:46 2021, MaxMem=  8589934592 cpu:          393808.1 elap:           49231.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (B) (A) (B) (A) (B) (B) (A) (B) (A) (A)
                 (B) (B) (A) (A) (B) (B) (A) (A) (B) (B) (A) (B)
                 (A) (A) (B) (A) (B) (A) (B) (A) (B) (A) (A) (B)
                 (A) (B) (B) (A) (A) (B) (B) (A) (B) (A) (B) (A)
                 (A) (B) (B) (A) (B) (A) (B) (A) (B) (A) (A) (B)
                 (B) (A) (A) (A) (B) (A) (B) (B) (B) (A) (B) (A)
                 (A) (B) (A) (A) (B) (A) (A) (B) (A) (B) (A) (B)
                 (A)
       Virtual   (A) (B) (B) (A) (A) (B) (A) (B) (B) (A) (B) (A)
                 (A) (B) (B) (A) (B) (A) (B) (A) (A) (B) (A) (B)
                 (A) (B) (B) (B) (A) (B) (A) (B) (A) (A) (B) (A)
                 (B) (A) (B) (A) (A) (B) (B) (B) (A) (A) (B) (A)
                 (B) (A) (B) (A) (B) (A) (B) (A) (A) (B) (B) (A)
                 (A) (B) (A) (B) (A) (B) (B) (A) (A) (B) (A) (B)
                 (A) (B) (B) (A) (B) (A) (B) (A) (A) (A) (B) (B)
                 (B) (A) (B) (A) (B) (A) (A) (B) (B) (A) (A) (B)
                 (A) (B) (B) (B) (B) (B) (A) (A) (A) (A) (B) (A)
                 (B) (A) (A) (B) (B) (A) (B) (A) (B) (A) (B) (B)
                 (A) (A) (A) (B) (A) (B) (A) (B) (A) (A) (B) (B)
                 (A) (A) (B) (B) (A) (B) (B) (A) (B) (A) (B) (A)
                 (B) (A) (B) (A) (B) (B) (A) (A) (B) (A) (A) (B)
                 (B) (A) (A) (B) (B) (A) (B) (A) (A) (B) (B) (A)
                 (B) (A) (A) (B) (B) (A) (B) (A) (B) (A) (B) (B)
                 (A) (B) (A) (B) (B) (A) (A) (B) (B) (A) (A) (A)
                 (B) (B) (A) (A) (A) (B) (B) (B) (A) (A) (B) (B)
                 (A) (B) (A) (A) (B) (B) (A) (B) (A) (A) (A) (B)
                 (B) (A) (B) (A) (B) (A) (B) (A) (B) (A) (A) (B)
                 (A) (B) (B) (A) (B) (A) (B) (B) (A) (B) (B) (A)
                 (A) (B) (A) (A) (B) (B) (A) (B) (A) (A) (A) (B)
                 (B) (A) (A) (B) (A) (B) (B) (B) (A) (B) (A) (A)
                 (B) (A) (B) (A) (B) (B) (A) (A) (B) (B) (A) (B)
                 (A) (A) (A) (B) (A) (B) (B) (A) (B) (A) (B) (A)
                 (B) (A) (A) (B) (B) (A) (A) (B) (B) (A) (B) (A)
                 (B) (A) (A) (B) (A) (B) (A) (A) (B) (B) (A) (B)
                 (A) (B) (A) (B) (A) (B) (B) (A) (B) (A) (A) (B)
                 (B) (B) (A) (A) (B) (A) (B) (B) (A) (B) (A) (B)
                 (A) (A) (B) (A) (B) (A) (B) (A) (B) (A) (B) (A)
                 (B) (A) (B) (A) (B) (B) (A) (A) (A) (B) (B) (A)
                 (B) (A) (A) (B) (A) (B) (A) (B) (A) (B) (A) (B)
                 (A) (B) (A) (B) (A) (B) (A) (B) (B) (A) (B) (A)
                 (A) (B) (B) (A) (B) (B) (A) (A) (B) (A) (B) (B)
                 (A) (A) (B) (A) (B) (A) (B) (A) (B) (B) (A) (B)
                 (A) (B) (A) (A) (B) (A) (B) (A) (B) (A) (B) (B)
                 (A) (B) (B) (A) (B) (A) (B) (A) (B) (A) (A) (A)
                 (B) (A) (B) (A) (B) (B) (A) (B) (A) (A) (A) (B)
                 (B) (A) (B) (A) (B) (A) (B) (A) (A) (A) (B) (A)
                 (B) (B) (B) (A) (A) (A) (B) (A) (A) (B) (B) (A)
                 (B) (B) (A) (B) (A) (B) (A) (B) (B) (A) (B) (A)
                 (B) (B) (A) (A) (B) (A) (B) (B) (A) (A) (B) (A)
                 (A) (B) (B) (A) (B) (A) (B) (A) (B) (A) (B) (B)
                 (A) (A) (A) (B) (B) (A) (B) (A) (B) (A) (B) (A)
                 (B) (B) (A) (B) (A) (B) (A) (A) (B) (A) (A) (B)
                 (B) (A) (A) (B) (B) (B) (A) (B) (B) (A) (A) (B)
                 (B) (A) (A) (B) (B) (A) (B) (A) (A) (A) (B) (B)
                 (A) (A) (A) (B) (A) (B) (B) (A) (B) (A) (A) (B)
                 (A) (B) (B) (A) (A) (A) (B) (B) (B) (A) (B) (B)
                 (A) (B) (A) (B) (B) (A) (A) (B) (A) (A) (B) (B)
                 (A) (B) (B) (A) (A) (B) (B) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues -- -300.74481 -36.03652 -31.52986 -31.52888 -31.49724
 Alpha  occ. eigenvalues --  -14.64175 -14.64175 -14.61254 -14.61253 -10.50551
 Alpha  occ. eigenvalues --  -10.50551 -10.48863 -10.48837 -10.45453 -10.45452
 Alpha  occ. eigenvalues --  -10.45285 -10.45258 -10.44525 -10.44525 -10.44082
 Alpha  occ. eigenvalues --  -10.44081 -10.42475 -10.42475 -10.41005 -10.41005
 Alpha  occ. eigenvalues --   -4.17057  -2.79633  -2.79323  -2.72158  -1.11639
 Alpha  occ. eigenvalues --   -1.09924  -1.07779  -1.05990  -0.99548  -0.92651
 Alpha  occ. eigenvalues --   -0.91445  -0.88099  -0.87770  -0.86352  -0.84254
 Alpha  occ. eigenvalues --   -0.79576  -0.78141  -0.73035  -0.73024  -0.71160
 Alpha  occ. eigenvalues --   -0.69458  -0.68214  -0.65405  -0.64942  -0.64062
 Alpha  occ. eigenvalues --   -0.63141  -0.62634  -0.60958  -0.59852  -0.59226
 Alpha  occ. eigenvalues --   -0.56066  -0.54327  -0.54264  -0.53718  -0.52677
 Alpha  occ. eigenvalues --   -0.52251  -0.50685  -0.49975  -0.49154  -0.49016
 Alpha  occ. eigenvalues --   -0.48430  -0.48263  -0.47933  -0.47142  -0.46751
 Alpha  occ. eigenvalues --   -0.45797  -0.45024  -0.44010  -0.43824  -0.43450
 Alpha  occ. eigenvalues --   -0.42871  -0.40830  -0.40298  -0.40131  -0.39411
 Alpha  occ. eigenvalues --   -0.37777  -0.33151  -0.31800  -0.28787  -0.28550
 Alpha virt. eigenvalues --   -0.02282  -0.01481  -0.01305  -0.00776   0.00004
 Alpha virt. eigenvalues --    0.00194   0.00278   0.00716   0.00828   0.01036
 Alpha virt. eigenvalues --    0.01407   0.01726   0.02245   0.02477   0.03185
 Alpha virt. eigenvalues --    0.03191   0.03447   0.03522   0.04328   0.04684
 Alpha virt. eigenvalues --    0.05081   0.05565   0.05624   0.06689   0.06714
 Alpha virt. eigenvalues --    0.07395   0.07812   0.08175   0.08397   0.08490
 Alpha virt. eigenvalues --    0.08562   0.08994   0.09238   0.09245   0.09272
 Alpha virt. eigenvalues --    0.09911   0.10104   0.10206   0.10418   0.10501
 Alpha virt. eigenvalues --    0.11029   0.11085   0.11631   0.11837   0.11928
 Alpha virt. eigenvalues --    0.12179   0.12479   0.12613   0.13149   0.13202
 Alpha virt. eigenvalues --    0.13394   0.13557   0.13739   0.13807   0.14328
 Alpha virt. eigenvalues --    0.14330   0.14534   0.14817   0.15336   0.15767
 Alpha virt. eigenvalues --    0.16043   0.16218   0.16473   0.16879   0.16910
 Alpha virt. eigenvalues --    0.17300   0.17547   0.17876   0.18105   0.18279
 Alpha virt. eigenvalues --    0.18427   0.18858   0.20084   0.20181   0.20418
 Alpha virt. eigenvalues --    0.20687   0.20958   0.20984   0.21263   0.21394
 Alpha virt. eigenvalues --    0.21701   0.22368   0.22414   0.23057   0.23163
 Alpha virt. eigenvalues --    0.23247   0.24141   0.24619   0.24751   0.24875
 Alpha virt. eigenvalues --    0.25603   0.25616   0.26104   0.26568   0.26738
 Alpha virt. eigenvalues --    0.26807   0.27445   0.27467   0.27534   0.27648
 Alpha virt. eigenvalues --    0.28237   0.28566   0.28713   0.29034   0.29450
 Alpha virt. eigenvalues --    0.29758   0.29764   0.29968   0.30345   0.30559
 Alpha virt. eigenvalues --    0.30788   0.31431   0.31577   0.31754   0.31921
 Alpha virt. eigenvalues --    0.32385   0.32615   0.32686   0.32918   0.33099
 Alpha virt. eigenvalues --    0.33195   0.33509   0.34102   0.34158   0.34635
 Alpha virt. eigenvalues --    0.35235   0.35668   0.36102   0.36787   0.37087
 Alpha virt. eigenvalues --    0.37273   0.37623   0.37722   0.38107   0.38165
 Alpha virt. eigenvalues --    0.38408   0.38870   0.39194   0.39261   0.39622
 Alpha virt. eigenvalues --    0.40719   0.40780   0.41001   0.41492   0.41759
 Alpha virt. eigenvalues --    0.42332   0.42368   0.42464   0.42541   0.43730
 Alpha virt. eigenvalues --    0.43775   0.44372   0.44686   0.45542   0.45584
 Alpha virt. eigenvalues --    0.45825   0.46055   0.46172   0.46533   0.46629
 Alpha virt. eigenvalues --    0.47398   0.47640   0.47989   0.48081   0.48790
 Alpha virt. eigenvalues --    0.48965   0.49041   0.49539   0.49966   0.50472
 Alpha virt. eigenvalues --    0.50778   0.51020   0.51328   0.51685   0.51819
 Alpha virt. eigenvalues --    0.52967   0.52969   0.53226   0.53587   0.54364
 Alpha virt. eigenvalues --    0.54820   0.55302   0.55615   0.55831   0.55898
 Alpha virt. eigenvalues --    0.56245   0.56657   0.57208   0.57360   0.57387
 Alpha virt. eigenvalues --    0.57790   0.58050   0.58190   0.59022   0.59077
 Alpha virt. eigenvalues --    0.59301   0.59422   0.59802   0.60298   0.60718
 Alpha virt. eigenvalues --    0.60797   0.61231   0.61419   0.61799   0.62189
 Alpha virt. eigenvalues --    0.62529   0.63066   0.63221   0.63911   0.63991
 Alpha virt. eigenvalues --    0.64244   0.64304   0.64770   0.64982   0.65423
 Alpha virt. eigenvalues --    0.65669   0.66302   0.66592   0.67045   0.67556
 Alpha virt. eigenvalues --    0.67578   0.67802   0.67898   0.68119   0.68916
 Alpha virt. eigenvalues --    0.69018   0.69210   0.69820   0.70193   0.70196
 Alpha virt. eigenvalues --    0.71534   0.71778   0.71940   0.72368   0.72381
 Alpha virt. eigenvalues --    0.73050   0.73293   0.74115   0.74476   0.74568
 Alpha virt. eigenvalues --    0.74731   0.75617   0.75765   0.76005   0.76230
 Alpha virt. eigenvalues --    0.77197   0.77439   0.77877   0.78543   0.79121
 Alpha virt. eigenvalues --    0.79243   0.79611   0.80284   0.80765   0.81056
 Alpha virt. eigenvalues --    0.81427   0.81657   0.81873   0.82080   0.82536
 Alpha virt. eigenvalues --    0.82875   0.82950   0.83712   0.84070   0.84157
 Alpha virt. eigenvalues --    0.84796   0.84975   0.85684   0.85734   0.86237
 Alpha virt. eigenvalues --    0.86463   0.86636   0.86693   0.87538   0.88153
 Alpha virt. eigenvalues --    0.88529   0.88973   0.89473   0.89825   0.90391
 Alpha virt. eigenvalues --    0.90645   0.90785   0.91286   0.91862   0.91927
 Alpha virt. eigenvalues --    0.92789   0.93221   0.93636   0.93811   0.94594
 Alpha virt. eigenvalues --    0.94807   0.95345   0.95528   0.95683   0.96432
 Alpha virt. eigenvalues --    0.96560   0.97376   0.97743   0.98003   0.98283
 Alpha virt. eigenvalues --    0.99877   1.01055   1.01523   1.01563   1.02679
 Alpha virt. eigenvalues --    1.03908   1.04563   1.05379   1.05711   1.05920
 Alpha virt. eigenvalues --    1.06493   1.07377   1.07731   1.08162   1.09219
 Alpha virt. eigenvalues --    1.09577   1.10659   1.11917   1.12479   1.12939
 Alpha virt. eigenvalues --    1.13862   1.14001   1.14932   1.15086   1.16363
 Alpha virt. eigenvalues --    1.17790   1.17836   1.18661   1.18795   1.20186
 Alpha virt. eigenvalues --    1.20700   1.22334   1.22388   1.23485   1.23561
 Alpha virt. eigenvalues --    1.24225   1.25107   1.26067   1.26618   1.26661
 Alpha virt. eigenvalues --    1.27096   1.27417   1.27656   1.29558   1.30824
 Alpha virt. eigenvalues --    1.31699   1.31994   1.33244   1.33783   1.34458
 Alpha virt. eigenvalues --    1.36588   1.36721   1.38286   1.38989   1.39612
 Alpha virt. eigenvalues --    1.40977   1.42116   1.42680   1.43367   1.43829
 Alpha virt. eigenvalues --    1.44916   1.45706   1.46266   1.46512   1.47570
 Alpha virt. eigenvalues --    1.47727   1.48874   1.49647   1.50975   1.51857
 Alpha virt. eigenvalues --    1.52383   1.52963   1.53515   1.54066   1.55511
 Alpha virt. eigenvalues --    1.56465   1.56630   1.57288   1.58777   1.58860
 Alpha virt. eigenvalues --    1.59108   1.59724   1.61515   1.61904   1.62704
 Alpha virt. eigenvalues --    1.62836   1.63807   1.63813   1.64581   1.65348
 Alpha virt. eigenvalues --    1.65750   1.67152   1.67225   1.67782   1.68128
 Alpha virt. eigenvalues --    1.69357   1.69766   1.70171   1.70815   1.71328
 Alpha virt. eigenvalues --    1.71801   1.72912   1.73170   1.74852   1.75037
 Alpha virt. eigenvalues --    1.75295   1.75842   1.77732   1.77992   1.78247
 Alpha virt. eigenvalues --    1.78486   1.79220   1.79703   1.80411   1.80993
 Alpha virt. eigenvalues --    1.81658   1.82006   1.83072   1.83764   1.84869
 Alpha virt. eigenvalues --    1.85644   1.85956   1.86964   1.87012   1.88067
 Alpha virt. eigenvalues --    1.88808   1.89371   1.89514   1.90106   1.90266
 Alpha virt. eigenvalues --    1.90617   1.91374   1.91434   1.94395   1.95046
 Alpha virt. eigenvalues --    1.95639   1.95682   1.96467   1.96700   1.97042
 Alpha virt. eigenvalues --    1.97268   1.98435   1.98805   1.99946   2.00658
 Alpha virt. eigenvalues --    2.00784   2.01759   2.02244   2.02649   2.02817
 Alpha virt. eigenvalues --    2.03531   2.04141   2.05184   2.05719   2.06265
 Alpha virt. eigenvalues --    2.06741   2.07180   2.08069   2.08321   2.08366
 Alpha virt. eigenvalues --    2.09614   2.10292   2.10641   2.12442   2.13156
 Alpha virt. eigenvalues --    2.13398   2.13793   2.14048   2.14425   2.15185
 Alpha virt. eigenvalues --    2.15921   2.16679   2.17195   2.18199   2.19643
 Alpha virt. eigenvalues --    2.19940   2.20768   2.21855   2.22452   2.23408
 Alpha virt. eigenvalues --    2.23602   2.24725   2.24859   2.26437   2.27911
 Alpha virt. eigenvalues --    2.29723   2.31542   2.31864   2.32760   2.34460
 Alpha virt. eigenvalues --    2.35516   2.35610   2.37394   2.38912   2.39196
 Alpha virt. eigenvalues --    2.40109   2.40200   2.41640   2.41880   2.42735
 Alpha virt. eigenvalues --    2.44029   2.44259   2.46125   2.46805   2.47342
 Alpha virt. eigenvalues --    2.48574   2.49177   2.49835   2.51684   2.53010
 Alpha virt. eigenvalues --    2.54281   2.55189   2.56721   2.56796   2.58656
 Alpha virt. eigenvalues --    2.59168   2.59205   2.61202   2.61958   2.62686
 Alpha virt. eigenvalues --    2.62800   2.63266   2.64379   2.65749   2.67150
 Alpha virt. eigenvalues --    2.67151   2.68465   2.69006   2.69865   2.69879
 Alpha virt. eigenvalues --    2.71340   2.71346   2.73224   2.75059   2.75121
 Alpha virt. eigenvalues --    2.75220   2.76187   2.76748   2.77751   2.79283
 Alpha virt. eigenvalues --    2.80393   2.81108   2.82955   2.83258   2.85122
 Alpha virt. eigenvalues --    2.86522   2.88034   2.88293   2.90463   2.91178
 Alpha virt. eigenvalues --    2.92850   2.94831   2.95394   2.99008   2.99791
 Alpha virt. eigenvalues --    3.01479   3.03329   3.05063   3.06261   3.09633
 Alpha virt. eigenvalues --    3.11524   3.14726   3.15962   3.16358   3.18113
 Alpha virt. eigenvalues --    3.21329   3.25989   3.27819   3.32054   3.33812
 Alpha virt. eigenvalues --    3.33839   3.38168   3.43601   3.45806   3.51552
 Alpha virt. eigenvalues --    3.57464   3.58193   3.63112   3.65778   3.70153
 Alpha virt. eigenvalues --    3.84862   3.86893   4.02162   4.10191   4.10218
 Alpha virt. eigenvalues --    4.18914   4.21867   4.34855   4.56911   5.40040
 Alpha virt. eigenvalues --    5.52877   5.61066   5.67392   5.75324   6.08498
 Alpha virt. eigenvalues --    6.21553
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  Ni  71.604601  -1.248150   0.340176   0.340176  -1.248150  -7.123391
     2  N   -1.248150   7.905466  -0.769915   0.088367  -0.072304  -0.181595
     3  N    0.340176  -0.769915  12.401395  -0.649671   0.088367   0.135127
     4  N    0.340176   0.088367  -0.649671  12.401395  -0.769915   0.482604
     5  N   -1.248150  -0.072304   0.088367  -0.769915   7.905466  -0.082556
     6  C   -7.123391  -0.181595   0.135127   0.482604  -0.082556  25.358910
     7  H    0.553019  -0.232496  -0.116367   0.024211   0.009243  -0.668908
     8  C    3.688914   0.177569  -0.262768  -0.131884   0.193576 -13.106592
     9  H   -0.068215  -0.082621   0.003629  -0.004728   0.000830   0.688068
    10  C   -4.921395  -0.654091   0.079701   0.026784  -0.003734  10.704948
    11  H    0.242965   0.125853  -0.043344   0.006203   0.000997  -0.498760
    12  C    3.484271   0.432410   1.220556   0.455401  -0.356533  -7.808658
    13  C   -8.468557   0.873794  -3.410250  -2.060260   0.622005  -3.546978
    14  H   -0.386433  -0.067677  -0.024673  -0.075712  -0.006294  -0.026123
    15  C   -7.042534  -0.638991  -6.393937   3.584597   0.159947   0.186425
    16  H    0.630756  -0.013094   0.058938  -0.608033  -0.037527   0.001792
    17  C   -0.076504   0.095326   0.981586   0.594679  -0.032012   0.063854
    18  H    0.083319  -0.010426   0.267549  -0.047102   0.000277   0.009338
    19  H   -0.003876  -0.008849  -0.556738   0.021706  -0.005723   0.005029
    20  C   -0.282034   0.005979   0.274488   0.116070  -0.001639  -0.004614
    21  H    0.032332   0.001405  -0.006495   0.023396  -0.001853   0.000738
    22  H    0.005073  -0.000360  -0.028176  -0.012429   0.000199  -0.000409
    23  C   -0.282034  -0.001639   0.116070   0.274488   0.005979  -0.002984
    24  H    0.005073   0.000199  -0.012429  -0.028176  -0.000360   0.000111
    25  H    0.032332  -0.001853   0.023396  -0.006495   0.001405  -0.001259
    26  C   -0.076504  -0.032012   0.594679   0.981586   0.095326  -0.004859
    27  H   -0.003876  -0.005723   0.021706  -0.556738  -0.008849  -0.000788
    28  H    0.083319   0.000277  -0.047102   0.267549  -0.010426  -0.001441
    29  C   -7.042534   0.159947   3.584597  -6.393937  -0.638991   0.254323
    30  H    0.630756  -0.037527  -0.608033   0.058938  -0.013094  -0.006513
    31  C   -8.468557   0.622005  -2.060260  -3.410250   0.873794   0.329885
    32  H   -0.386433  -0.006294  -0.075712  -0.024673  -0.067677   0.016585
    33  C    3.484271  -0.356533   0.455401   1.220556   0.432410  -0.319351
    34  C   -4.921395  -0.003734   0.026784   0.079701  -0.654091   0.179434
    35  H    0.242965   0.000997   0.006203  -0.043344   0.125853  -0.000077
    36  C    3.688914   0.193576  -0.131884  -0.262768   0.177569  -0.145022
    37  H   -0.068215   0.000830  -0.004728   0.003629  -0.082621   0.022124
    38  C   -7.123391  -0.082556   0.482604   0.135127  -0.181595   0.966462
    39  H    0.553019   0.009243   0.024211  -0.116367  -0.232496  -0.250720
               7          8          9         10         11         12
     1  Ni   0.553019   3.688914  -0.068215  -4.921395   0.242965   3.484271
     2  N   -0.232496   0.177569  -0.082621  -0.654091   0.125853   0.432410
     3  N   -0.116367  -0.262768   0.003629   0.079701  -0.043344   1.220556
     4  N    0.024211  -0.131884  -0.004728   0.026784   0.006203   0.455401
     5  N    0.009243   0.193576   0.000830  -0.003734   0.000997  -0.356533
     6  C   -0.668908 -13.106592   0.688068  10.704948  -0.498760  -7.808658
     7  H    2.992896   0.126512  -0.048191  -0.235781  -0.032564  -0.050269
     8  C    0.126512  20.047867  -1.481445 -10.986867   0.610259   6.248205
     9  H   -0.048191  -1.481445   1.812748   0.656864   0.013316  -0.059932
    10  C   -0.235781 -10.986867   0.656864  29.802970  -2.262357 -17.787139
    11  H   -0.032564   0.610259   0.013316  -2.262357   1.884754   1.667356
    12  C   -0.050269   6.248205  -0.059932 -17.787139   1.667356  34.816753
    13  C   -0.308216   0.795260   0.095491   0.337631  -0.118074 -16.972596
    14  H    0.014310   0.144684   0.000671  -0.607368  -0.015851   1.687471
    15  C    0.031990  -0.222958  -0.009095   0.012825  -0.034928   1.538034
    16  H   -0.002494  -0.018246   0.000155  -0.012321  -0.003106  -0.120455
    17  C    0.003471   0.004519  -0.000182   0.102152   0.013059  -0.115638
    18  H    0.000022  -0.016531  -0.000359   0.086845   0.001372  -0.142863
    19  H    0.000110  -0.008461  -0.000157   0.020821   0.000094  -0.111331
    20  C    0.000599   0.012652   0.000244  -0.040039  -0.000485   0.152898
    21  H    0.000128   0.000822  -0.000006  -0.000517   0.000190   0.016862
    22  H    0.000004   0.000568   0.000020  -0.004275  -0.000289  -0.000949
    23  C   -0.000929   0.000038   0.000068  -0.001745  -0.001218  -0.065826
    24  H    0.000022  -0.000069  -0.000001  -0.000035  -0.000016  -0.001089
    25  H   -0.000269   0.000330   0.000011   0.001392  -0.000011   0.001247
    26  C    0.000470   0.007025   0.000114   0.003791   0.000461   0.153526
    27  H   -0.000217   0.000493  -0.000004   0.001314  -0.000009  -0.006399
    28  H    0.000045   0.002174   0.000059  -0.003434  -0.000117   0.004614
    29  C   -0.027754   0.054943   0.001553  -0.329453  -0.004890  -1.524693
    30  H   -0.000946  -0.006305  -0.000040  -0.013244  -0.000435   0.000437
    31  C    0.092077  -0.362465  -0.010456   0.323778   0.008359   0.759988
    32  H   -0.003535  -0.013080  -0.000382   0.014250   0.000376  -0.007059
    33  C    0.097086   0.225661   0.001109  -0.117407  -0.001562  -0.647085
    34  C   -0.032428   0.144447   0.004600  -0.081797  -0.002708  -0.117407
    35  H    0.000031   0.004434   0.000143  -0.002708  -0.000090  -0.001562
    36  C    0.098673  -0.407042  -0.011997   0.144447   0.004434   0.225661
    37  H    0.004534  -0.011997  -0.000440   0.004600   0.000143   0.001109
    38  C   -0.250720  -0.145022   0.022124   0.179434  -0.000077  -0.319351
    39  H   -0.301117   0.098673   0.004534  -0.032428   0.000031   0.097086
              13         14         15         16         17         18
     1  Ni  -8.468557  -0.386433  -7.042534   0.630756  -0.076504   0.083319
     2  N    0.873794  -0.067677  -0.638991  -0.013094   0.095326  -0.010426
     3  N   -3.410250  -0.024673  -6.393937   0.058938   0.981586   0.267549
     4  N   -2.060260  -0.075712   3.584597  -0.608033   0.594679  -0.047102
     5  N    0.622005  -0.006294   0.159947  -0.037527  -0.032012   0.000277
     6  C   -3.546978  -0.026123   0.186425   0.001792   0.063854   0.009338
     7  H   -0.308216   0.014310   0.031990  -0.002494   0.003471   0.000022
     8  C    0.795260   0.144684  -0.222958  -0.018246   0.004519  -0.016531
     9  H    0.095491   0.000671  -0.009095   0.000155  -0.000182  -0.000359
    10  C    0.337631  -0.607368   0.012825  -0.012321   0.102152   0.086845
    11  H   -0.118074  -0.015851  -0.034928  -0.003106   0.013059   0.001372
    12  C  -16.972596   1.687471   1.538034  -0.120455  -0.115638  -0.142863
    13  C   41.236255  -2.269633  -2.214679   0.229594  -0.863863   0.266848
    14  H   -2.269633   2.940177   0.703207   0.037674  -0.079750  -0.214605
    15  C   -2.214679   0.703207  41.154073  -2.691969  -3.159497  -0.414914
    16  H    0.229594   0.037674  -2.691969   3.722721  -0.123103  -0.198758
    17  C   -0.863863  -0.079750  -3.159497  -0.123103   9.133917  -0.901821
    18  H    0.266848  -0.214605  -0.414914  -0.198758  -0.901821   2.807111
    19  H    0.219486  -0.013419   1.064074   0.230628  -0.526039  -0.741766
    20  C   -0.506306  -0.009672  -1.312914  -0.191182   0.304913   0.044611
    21  H   -0.076427   0.001626   0.010210  -0.000565   0.074064  -0.206986
    22  H    0.020663   0.014897   0.303392   0.019070   0.244510  -0.019286
    23  C    0.365657   0.039293   0.400536   0.046712  -0.336842   0.042465
    24  H    0.002120  -0.002610   0.016284   0.001126  -0.004086   0.014078
    25  H    0.007586  -0.000472  -0.227876  -0.015976   0.102092   0.023264
    26  C   -0.192371  -0.027645  -0.483079  -0.317115   0.072616   0.085879
    27  H    0.028686   0.001023  -0.684574   0.085777  -0.018913   0.031295
    28  H   -0.006560   0.001874   0.585941   0.027093   0.085879  -0.017785
    29  C    1.584194   0.100726 -19.350486   0.827402  -0.483079   0.585941
    30  H    0.040113   0.008202   0.827402   0.309873  -0.317115   0.027093
    31  C   -1.155977  -0.051078   1.584194   0.040113  -0.192371  -0.006560
    32  H   -0.051078  -0.004659   0.100726   0.008202  -0.027645   0.001874
    33  C    0.759988  -0.007059  -1.524693   0.000437   0.153526   0.004614
    34  C    0.323778   0.014250  -0.329453  -0.013244   0.003791  -0.003434
    35  H    0.008359   0.000376  -0.004890  -0.000435   0.000461  -0.000117
    36  C   -0.362465  -0.013080   0.054943  -0.006305   0.007025   0.002174
    37  H   -0.010456  -0.000382   0.001553  -0.000040   0.000114   0.000059
    38  C    0.329885   0.016585   0.254323  -0.006513  -0.004859  -0.001441
    39  H    0.092077  -0.003535  -0.027754  -0.000946   0.000470   0.000045
              19         20         21         22         23         24
     1  Ni  -0.003876  -0.282034   0.032332   0.005073  -0.282034   0.005073
     2  N   -0.008849   0.005979   0.001405  -0.000360  -0.001639   0.000199
     3  N   -0.556738   0.274488  -0.006495  -0.028176   0.116070  -0.012429
     4  N    0.021706   0.116070   0.023396  -0.012429   0.274488  -0.028176
     5  N   -0.005723  -0.001639  -0.001853   0.000199   0.005979  -0.000360
     6  C    0.005029  -0.004614   0.000738  -0.000409  -0.002984   0.000111
     7  H    0.000110   0.000599   0.000128   0.000004  -0.000929   0.000022
     8  C   -0.008461   0.012652   0.000822   0.000568   0.000038  -0.000069
     9  H   -0.000157   0.000244  -0.000006   0.000020   0.000068  -0.000001
    10  C    0.020821  -0.040039  -0.000517  -0.004275  -0.001745  -0.000035
    11  H    0.000094  -0.000485   0.000190  -0.000289  -0.001218  -0.000016
    12  C   -0.111331   0.152898   0.016862  -0.000949  -0.065826  -0.001089
    13  C    0.219486  -0.506306  -0.076427   0.020663   0.365657   0.002120
    14  H   -0.013419  -0.009672   0.001626   0.014897   0.039293  -0.002610
    15  C    1.064074  -1.312914   0.010210   0.303392   0.400536   0.016284
    16  H    0.230628  -0.191182  -0.000565   0.019070   0.046712   0.001126
    17  C   -0.526039   0.304913   0.074064   0.244510  -0.336842  -0.004086
    18  H   -0.741766   0.044611  -0.206986  -0.019286   0.042465   0.014078
    19  H    2.726120  -0.248739   0.157273  -0.158721  -0.008471   0.001072
    20  C   -0.248739   7.323948  -0.155234  -0.661641  -0.316118   0.289025
    21  H    0.157273  -0.155234   2.228031  -0.527811  -0.096558  -0.171867
    22  H   -0.158721  -0.661641  -0.527811   1.914973   0.289025   0.022284
    23  C   -0.008471  -0.316118  -0.096558   0.289025   7.323948  -0.661641
    24  H    0.001072   0.289025  -0.171867   0.022284  -0.661641   1.914973
    25  H   -0.032764  -0.096558   0.153357  -0.171867  -0.155234  -0.527811
    26  C   -0.018913  -0.336842   0.102092  -0.004086   0.304913   0.244510
    27  H   -0.029694  -0.008471  -0.032764   0.001072  -0.248739  -0.158721
    28  H    0.031295   0.042465   0.023264   0.014078   0.044611  -0.019286
    29  C   -0.684574   0.400536  -0.227876   0.016284  -1.312914   0.303392
    30  H    0.085777   0.046712  -0.015976   0.001126  -0.191182   0.019070
    31  C    0.028686   0.365657   0.007586   0.002120  -0.506306   0.020663
    32  H    0.001023   0.039293  -0.000472  -0.002610  -0.009672   0.014897
    33  C   -0.006399  -0.065826   0.001247  -0.001089   0.152898  -0.000949
    34  C    0.001314  -0.001745   0.001392  -0.000035  -0.040039  -0.004275
    35  H   -0.000009  -0.001218  -0.000011  -0.000016  -0.000485  -0.000289
    36  C    0.000493   0.000038   0.000330  -0.000069   0.012652   0.000568
    37  H   -0.000004   0.000068   0.000011  -0.000001   0.000244   0.000020
    38  C   -0.000788  -0.002984  -0.001259   0.000111  -0.004614  -0.000409
    39  H   -0.000217  -0.000929  -0.000269   0.000022   0.000599   0.000004
              25         26         27         28         29         30
     1  Ni   0.032332  -0.076504  -0.003876   0.083319  -7.042534   0.630756
     2  N   -0.001853  -0.032012  -0.005723   0.000277   0.159947  -0.037527
     3  N    0.023396   0.594679   0.021706  -0.047102   3.584597  -0.608033
     4  N   -0.006495   0.981586  -0.556738   0.267549  -6.393937   0.058938
     5  N    0.001405   0.095326  -0.008849  -0.010426  -0.638991  -0.013094
     6  C   -0.001259  -0.004859  -0.000788  -0.001441   0.254323  -0.006513
     7  H   -0.000269   0.000470  -0.000217   0.000045  -0.027754  -0.000946
     8  C    0.000330   0.007025   0.000493   0.002174   0.054943  -0.006305
     9  H    0.000011   0.000114  -0.000004   0.000059   0.001553  -0.000040
    10  C    0.001392   0.003791   0.001314  -0.003434  -0.329453  -0.013244
    11  H   -0.000011   0.000461  -0.000009  -0.000117  -0.004890  -0.000435
    12  C    0.001247   0.153526  -0.006399   0.004614  -1.524693   0.000437
    13  C    0.007586  -0.192371   0.028686  -0.006560   1.584194   0.040113
    14  H   -0.000472  -0.027645   0.001023   0.001874   0.100726   0.008202
    15  C   -0.227876  -0.483079  -0.684574   0.585941 -19.350486   0.827402
    16  H   -0.015976  -0.317115   0.085777   0.027093   0.827402   0.309873
    17  C    0.102092   0.072616  -0.018913   0.085879  -0.483079  -0.317115
    18  H    0.023264   0.085879   0.031295  -0.017785   0.585941   0.027093
    19  H   -0.032764  -0.018913  -0.029694   0.031295  -0.684574   0.085777
    20  C   -0.096558  -0.336842  -0.008471   0.042465   0.400536   0.046712
    21  H    0.153357   0.102092  -0.032764   0.023264  -0.227876  -0.015976
    22  H   -0.171867  -0.004086   0.001072   0.014078   0.016284   0.001126
    23  C   -0.155234   0.304913  -0.248739   0.044611  -1.312914  -0.191182
    24  H   -0.527811   0.244510  -0.158721  -0.019286   0.303392   0.019070
    25  H    2.228031   0.074064   0.157273  -0.206986   0.010210  -0.000565
    26  C    0.074064   9.133917  -0.526039  -0.901821  -3.159497  -0.123103
    27  H    0.157273  -0.526039   2.726120  -0.741766   1.064074   0.230628
    28  H   -0.206986  -0.901821  -0.741766   2.807111  -0.414914  -0.198758
    29  C    0.010210  -3.159497   1.064074  -0.414914  41.154073  -2.691969
    30  H   -0.000565  -0.123103   0.230628  -0.198758  -2.691969   3.722721
    31  C   -0.076427  -0.863863   0.219486   0.266848  -2.214679   0.229594
    32  H    0.001626  -0.079750  -0.013419  -0.214605   0.703207   0.037674
    33  C    0.016862  -0.115638  -0.111331  -0.142863   1.538034  -0.120455
    34  C   -0.000517   0.102152   0.020821   0.086845   0.012825  -0.012321
    35  H    0.000190   0.013059   0.000094   0.001372  -0.034928  -0.003106
    36  C    0.000822   0.004519  -0.008461  -0.016531  -0.222958  -0.018246
    37  H   -0.000006  -0.000182  -0.000157  -0.000359  -0.009095   0.000155
    38  C    0.000738   0.063854   0.005029   0.009338   0.186425   0.001792
    39  H    0.000128   0.003471   0.000110   0.000022   0.031990  -0.002494
              31         32         33         34         35         36
     1  Ni  -8.468557  -0.386433   3.484271  -4.921395   0.242965   3.688914
     2  N    0.622005  -0.006294  -0.356533  -0.003734   0.000997   0.193576
     3  N   -2.060260  -0.075712   0.455401   0.026784   0.006203  -0.131884
     4  N   -3.410250  -0.024673   1.220556   0.079701  -0.043344  -0.262768
     5  N    0.873794  -0.067677   0.432410  -0.654091   0.125853   0.177569
     6  C    0.329885   0.016585  -0.319351   0.179434  -0.000077  -0.145022
     7  H    0.092077  -0.003535   0.097086  -0.032428   0.000031   0.098673
     8  C   -0.362465  -0.013080   0.225661   0.144447   0.004434  -0.407042
     9  H   -0.010456  -0.000382   0.001109   0.004600   0.000143  -0.011997
    10  C    0.323778   0.014250  -0.117407  -0.081797  -0.002708   0.144447
    11  H    0.008359   0.000376  -0.001562  -0.002708  -0.000090   0.004434
    12  C    0.759988  -0.007059  -0.647085  -0.117407  -0.001562   0.225661
    13  C   -1.155977  -0.051078   0.759988   0.323778   0.008359  -0.362465
    14  H   -0.051078  -0.004659  -0.007059   0.014250   0.000376  -0.013080
    15  C    1.584194   0.100726  -1.524693  -0.329453  -0.004890   0.054943
    16  H    0.040113   0.008202   0.000437  -0.013244  -0.000435  -0.006305
    17  C   -0.192371  -0.027645   0.153526   0.003791   0.000461   0.007025
    18  H   -0.006560   0.001874   0.004614  -0.003434  -0.000117   0.002174
    19  H    0.028686   0.001023  -0.006399   0.001314  -0.000009   0.000493
    20  C    0.365657   0.039293  -0.065826  -0.001745  -0.001218   0.000038
    21  H    0.007586  -0.000472   0.001247   0.001392  -0.000011   0.000330
    22  H    0.002120  -0.002610  -0.001089  -0.000035  -0.000016  -0.000069
    23  C   -0.506306  -0.009672   0.152898  -0.040039  -0.000485   0.012652
    24  H    0.020663   0.014897  -0.000949  -0.004275  -0.000289   0.000568
    25  H   -0.076427   0.001626   0.016862  -0.000517   0.000190   0.000822
    26  C   -0.863863  -0.079750  -0.115638   0.102152   0.013059   0.004519
    27  H    0.219486  -0.013419  -0.111331   0.020821   0.000094  -0.008461
    28  H    0.266848  -0.214605  -0.142863   0.086845   0.001372  -0.016531
    29  C   -2.214679   0.703207   1.538034   0.012825  -0.034928  -0.222958
    30  H    0.229594   0.037674  -0.120455  -0.012321  -0.003106  -0.018246
    31  C   41.236255  -2.269633 -16.972596   0.337631  -0.118074   0.795260
    32  H   -2.269633   2.940177   1.687471  -0.607368  -0.015851   0.144684
    33  C  -16.972596   1.687471  34.816753 -17.787139   1.667356   6.248205
    34  C    0.337631  -0.607368 -17.787139  29.802970  -2.262357 -10.986867
    35  H   -0.118074  -0.015851   1.667356  -2.262357   1.884754   0.610259
    36  C    0.795260   0.144684   6.248205 -10.986867   0.610259  20.047867
    37  H    0.095491   0.000671  -0.059932   0.656864   0.013316  -1.481445
    38  C   -3.546978  -0.026123  -7.808658  10.704948  -0.498760 -13.106592
    39  H   -0.308216   0.014310  -0.050269  -0.235781  -0.032564   0.126512
              37         38         39
     1  Ni  -0.068215  -7.123391   0.553019
     2  N    0.000830  -0.082556   0.009243
     3  N   -0.004728   0.482604   0.024211
     4  N    0.003629   0.135127  -0.116367
     5  N   -0.082621  -0.181595  -0.232496
     6  C    0.022124   0.966462  -0.250720
     7  H    0.004534  -0.250720  -0.301117
     8  C   -0.011997  -0.145022   0.098673
     9  H   -0.000440   0.022124   0.004534
    10  C    0.004600   0.179434  -0.032428
    11  H    0.000143  -0.000077   0.000031
    12  C    0.001109  -0.319351   0.097086
    13  C   -0.010456   0.329885   0.092077
    14  H   -0.000382   0.016585  -0.003535
    15  C    0.001553   0.254323  -0.027754
    16  H   -0.000040  -0.006513  -0.000946
    17  C    0.000114  -0.004859   0.000470
    18  H    0.000059  -0.001441   0.000045
    19  H   -0.000004  -0.000788  -0.000217
    20  C    0.000068  -0.002984  -0.000929
    21  H    0.000011  -0.001259  -0.000269
    22  H   -0.000001   0.000111   0.000022
    23  C    0.000244  -0.004614   0.000599
    24  H    0.000020  -0.000409   0.000004
    25  H   -0.000006   0.000738   0.000128
    26  C   -0.000182   0.063854   0.003471
    27  H   -0.000157   0.005029   0.000110
    28  H   -0.000359   0.009338   0.000022
    29  C   -0.009095   0.186425   0.031990
    30  H    0.000155   0.001792  -0.002494
    31  C    0.095491  -3.546978  -0.308216
    32  H    0.000671  -0.026123   0.014310
    33  C   -0.059932  -7.808658  -0.050269
    34  C    0.656864  10.704948  -0.235781
    35  H    0.013316  -0.498760  -0.032564
    36  C   -1.481445 -13.106592   0.126512
    37  H    1.812748   0.688068  -0.048191
    38  C    0.688068  25.358910  -0.668908
    39  H   -0.048191  -0.668908   2.992896
 Mulliken charges:
               1
     1  Ni  -2.484075
     2  N    0.815195
     3  N    1.015320
     4  N    1.015320
     5  N    0.815195
     6  C    0.375840
     7  H   -0.736249
     8  C    0.592108
     9  H   -0.528099
    10  C    1.593587
    11  H   -0.559332
    12  C   -0.747049
    13  C    0.355279
    14  H   -0.819315
    15  C    0.194547
    16  H   -0.896636
    17  C    1.221296
    18  H   -0.441319
    19  H   -0.429350
    20  C    0.824995
    21  H   -0.313411
    22  H   -0.275371
    23  C    0.824995
    24  H   -0.275371
    25  H   -0.313411
    26  C    1.221296
    27  H   -0.429350
    28  H   -0.441319
    29  C    0.194547
    30  H   -0.896636
    31  C    0.355279
    32  H   -0.819315
    33  C   -0.747049
    34  C    1.593587
    35  H   -0.559332
    36  C    0.592108
    37  H   -0.528099
    38  C    0.375840
    39  H   -0.736249
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  Ni  -2.484075
     2  N    0.815195
     3  N    1.015320
     4  N    1.015320
     5  N    0.815195
     6  C   -0.360409
     8  C    0.064010
    10  C    1.034255
    12  C   -0.747049
    13  C   -0.464036
    15  C   -0.702089
    17  C    0.350627
    20  C    0.236213
    23  C    0.236213
    26  C    0.350627
    29  C   -0.702089
    31  C   -0.464036
    33  C   -0.747049
    34  C    1.034255
    36  C    0.064010
    38  C   -0.360409
 Electronic spatial extent (au):  <R**2>=           6521.7343
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0000    Y=              0.0000    Z=             -6.3655  Tot=              6.3655
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -136.6237   YY=           -126.2621   ZZ=           -119.1302
   XY=              0.9344   XZ=              0.0000   YZ=              0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -9.2851   YY=              1.0766   ZZ=              8.2085
   XY=              0.9344   XZ=              0.0000   YZ=              0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.0000  YYY=             -0.0000  ZZZ=             -7.7419  XYY=              0.0000
  XXY=             -0.0000  XXZ=            -17.2130  XZZ=             -0.0000  YZZ=              0.0000
  YYZ=            -30.8879  XYZ=             -2.8002
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -223.9214 YYYY=          -3554.0063 ZZZZ=          -4794.8722 XXXY=             85.4462
 XXXZ=             -0.0000 YYYX=             64.0325 YYYZ=             -0.0000 ZZZX=              0.0000
 ZZZY=              0.0000 XXYY=           -747.0728 XXZZ=           -929.9666 YYZZ=          -1464.9068
 XXYZ=             -0.0000 YYXZ=             -0.0000 ZZXY=             11.5969
 N-N= 2.160849898014D+03 E-N=-9.871837360387D+03  KE= 2.339593488165D+03
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Tue Sep  7 02:24:48 2021, MaxMem=  8589934592 cpu:              10.0 elap:               1.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 5.94251399D-15 1.49358537D-13-2.19508104D+00
 Polarizability= 1.33441883D+02-8.65866184D+00 2.96385123D+02
                 1.57723984D-08 9.90178767D-07 3.31180958D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0002   -0.0000       -5.0835   -5.0766
 2      0.0001    0.0000        0.0001   -0.0000       81.5764   81.6092
 3      5.0731    5.0766     -117.0413 -117.1202       -0.0010    0.0000
 4      0.0000    0.0000        0.0000    0.0000        5.0770    5.0766
 5     35.4563   35.5110       -5.0785   -5.0766       -0.0003   -0.0000
 6     -0.0000   -0.0000       -0.0000    0.0000        0.0002    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000      -15.2298  -15.2298
 2     -0.0000    0.0000       -0.0000    0.0000      -15.2298  -15.2298
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000   -0.0000      244.8275  244.8275
 5     15.2299   15.2298     -351.3606 -351.3606       -0.0000    0.0000
 6    106.5331  106.5331      -15.2298  -15.2298       -0.0000   -0.0000
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       21.0977   20.3065
 2     -0.0000   -0.0000       -0.0000    0.0000     -327.0288 -326.4367
 3    -21.4050  -20.3065      466.8282  468.4808        0.0000   -0.0000
 4     -0.0000   -0.0000        0.0000    0.0000      -19.9303  -20.3065
 5   -141.5823 -142.0441       18.2807   20.3065       -0.0000    0.0000
 6      0.0000    0.0000        0.0000   -0.0000        1.8044    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0006   -0.0000       97.2597   92.9928
 2      0.0001    0.0000        0.0021    0.0000       28.5779   39.3463
 3    -72.8191  -92.9928     -125.8395 -132.0528       -0.0001   -0.0000
 4      0.0017   -0.0000        0.0001    0.0000      -98.6416  -92.9928
 5     88.4542   92.7065      104.5403   92.9928        0.0004   -0.0000
 6      0.0005    0.0000       -0.0002    0.0000        3.9214    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000   -0.0000     -622.5008 -623.3164
 2      0.0000    0.0000       -0.0000   -0.0000     -623.4904 -623.3164
 3     -0.0000    0.0000       -0.0000   -0.0000     -488.4166 -487.5445
 4     -0.0000   -0.0000        0.0000    0.0000       11.6312   11.5426
 5    141.3803  135.7719     -135.6242 -139.7387        0.0000   -0.0000
 6    128.6380  128.1961     -136.8785 -135.7719       -0.0000    0.0000
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.4568    0.0068    0.0070    0.0075    0.5431    5.1019
 Low frequencies ---   48.9603   55.8029   70.3860
 Diagonal vibrational polarizability:
       28.4089659      15.0434278      27.8453606
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      B                      A                      B
 Frequencies --     48.9601                55.8029                70.3859
 Red. masses --      6.0008                 3.6632                 4.0167
 Frc consts  --      0.0085                 0.0067                 0.0117
 IR Inten    --      1.2377                 0.1008                 0.0909
 RamAct Fr= 1--      2.7743                 2.1432                 7.5428
  Dep-P Fr= 1--      0.7500                 0.7185                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8362                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0012                 0.0000
 Beta2  Fr= 1--      0.3963                 0.2987                 1.0775
 AlphaG Fr= 1--      0.0000                -0.0073                 0.0000
 Gamma2 Fr= 1--      1.7936                12.7133                -1.6568
 Delta2 Fr= 1--     -0.8420                 4.7137                 0.2873
 Raman1 Fr= 1--      11.097                  8.573                 30.171
 ROA1   Fr= 1--     145.239               1371.313               -149.856
 CID1   Fr= 1--      13.088                159.963                 -4.967
 Raman2 Fr= 1--       4.756                  3.584                 12.931
 ROA2   Fr= 1--      49.781                267.409                -42.061
 CID2   Fr= 1--      10.467                 74.608                 -3.253
 Raman3 Fr= 1--       9.512                  7.168                 25.861
 ROA3   Fr= 1--     145.239               1371.313               -149.856
 CID3   Fr= 1--      15.269                191.301                 -5.795
 RC180  Fr= 1--       0.714                  0.672                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.18   0.00  -0.00     0.00   0.00   0.01    -0.03  -0.00  -0.00
     2   7     0.09   0.00  -0.00    -0.01   0.00  -0.00    -0.06  -0.00  -0.00
     3   7     0.13  -0.00   0.00     0.09  -0.00   0.01     0.09  -0.00  -0.00
     4   7     0.13  -0.00  -0.00    -0.09   0.00   0.01     0.09  -0.00   0.00
     5   7     0.09   0.00   0.00     0.01  -0.00  -0.00    -0.06  -0.00   0.00
     6   6     0.00  -0.00  -0.01    -0.14   0.00  -0.01    -0.17  -0.00  -0.01
     7   1     0.07  -0.00  -0.01    -0.22   0.00  -0.01    -0.31  -0.01  -0.02
     8   6    -0.19  -0.01  -0.02    -0.17   0.00  -0.02    -0.07   0.00  -0.01
     9   1    -0.29  -0.02  -0.03    -0.26   0.00  -0.03    -0.12   0.00  -0.02
    10   6    -0.22  -0.01  -0.02    -0.05   0.00  -0.01     0.11   0.00  -0.00
    11   1    -0.36  -0.02  -0.03    -0.03   0.00  -0.02     0.23   0.01  -0.00
    12   6    -0.04  -0.01  -0.01     0.05   0.00  -0.00     0.11   0.00   0.00
    13   6    -0.03  -0.00  -0.01     0.11  -0.00  -0.00     0.18  -0.00   0.01
    14   1    -0.16  -0.00  -0.02     0.14  -0.01  -0.00     0.28  -0.00   0.01
    15   6     0.05   0.01  -0.02     0.07  -0.03   0.01     0.06   0.00  -0.01
    16   1     0.05   0.01  -0.08     0.05  -0.14   0.04     0.06   0.01  -0.07
    17   6    -0.03   0.01   0.02     0.18   0.02   0.00    -0.03   0.00   0.02
    18   1    -0.03   0.01  -0.02     0.29  -0.04   0.01    -0.02  -0.00  -0.02
    19   1    -0.03   0.02   0.10     0.19   0.15  -0.01    -0.02   0.02   0.12
    20   6    -0.14   0.02  -0.02     0.09  -0.04   0.01    -0.15   0.01  -0.02
    21   1    -0.14   0.02  -0.11     0.09  -0.18   0.02    -0.16   0.01  -0.13
    22   1    -0.21   0.02   0.01     0.17   0.01   0.01    -0.23   0.01   0.02
    23   6    -0.14   0.02   0.02    -0.09   0.04   0.01    -0.15   0.01   0.02
    24   1    -0.21   0.02  -0.01    -0.17  -0.01   0.01    -0.23   0.01  -0.02
    25   1    -0.14   0.02   0.11    -0.09   0.18   0.02    -0.16   0.01   0.13
    26   6    -0.03   0.01  -0.02    -0.18  -0.02   0.00    -0.03   0.00  -0.02
    27   1    -0.03   0.02  -0.10    -0.19  -0.15  -0.01    -0.02   0.02  -0.12
    28   1    -0.03   0.01   0.02    -0.29   0.04   0.01    -0.02  -0.00   0.02
    29   6     0.05   0.01   0.02    -0.07   0.03   0.01     0.06   0.00   0.01
    30   1     0.05   0.01   0.08    -0.05   0.14   0.04     0.06   0.01   0.07
    31   6    -0.03  -0.00   0.01    -0.11   0.00  -0.00     0.18  -0.00  -0.01
    32   1    -0.16  -0.00   0.02    -0.14   0.01  -0.00     0.28  -0.00  -0.01
    33   6    -0.04  -0.01   0.01    -0.05  -0.00  -0.00     0.11   0.00  -0.00
    34   6    -0.22  -0.01   0.02     0.05  -0.00  -0.01     0.11   0.00   0.00
    35   1    -0.36  -0.02   0.03     0.03  -0.00  -0.02     0.23   0.01   0.00
    36   6    -0.19  -0.01   0.02     0.17  -0.00  -0.02    -0.07   0.00   0.01
    37   1    -0.29  -0.02   0.03     0.26  -0.00  -0.03    -0.12   0.00   0.02
    38   6     0.00  -0.00   0.01     0.14  -0.00  -0.01    -0.17  -0.00   0.01
    39   1     0.07  -0.00   0.01     0.22  -0.00  -0.01    -0.31  -0.01   0.02
                      4                      5                      6
                      A                      A                      B
 Frequencies --     97.7355               124.9903               151.4999
 Red. masses --      3.4163                 5.2791                 4.4281
 Frc consts  --      0.0192                 0.0486                 0.0599
 IR Inten    --      0.2293                 0.0203                 1.2556
 RamAct Fr= 1--      2.3374                 4.7344                 1.0539
  Dep-P Fr= 1--      0.6934                 0.3817                 0.7500
  Dep-U Fr= 1--      0.8190                 0.5525                 0.8571
 Alpha2 Fr= 1--      0.0023                 0.0374                 0.0000
 Beta2  Fr= 1--      0.3190                 0.4359                 0.1506
 AlphaG Fr= 1--      0.1920                 0.0376                 0.0000
 Gamma2 Fr= 1--     -4.9896                 2.8917                 3.7641
 Delta2 Fr= 1--     -1.3953                 0.2772                 1.1501
 Raman1 Fr= 1--       9.350                 18.938                  4.216
 ROA1   Fr= 1--    -523.653                286.476                398.157
 CID1   Fr= 1--     -56.007                 15.127                 94.447
 Raman2 Fr= 1--       3.829                  5.231                  1.807
 ROA2   Fr= 1--    -108.588                 67.184                 81.138
 CID2   Fr= 1--     -28.363                 12.843                 44.909
 Raman3 Fr= 1--       7.657                 10.462                  3.613
 ROA3   Fr= 1--    -523.653                286.476                398.157
 CID3   Fr= 1--     -68.388                 27.381                110.188
 RC180  Fr= 1--       0.638                  0.105                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00   0.00   0.02     0.00   0.00   0.07     0.02   0.04   0.00
     2   7     0.03   0.02   0.00    -0.00   0.11   0.03     0.13   0.01   0.02
     3   7     0.00  -0.01   0.01     0.01  -0.02   0.03    -0.08   0.06  -0.01
     4   7    -0.00   0.01   0.01    -0.01   0.02   0.03    -0.08   0.06   0.01
     5   7    -0.03  -0.02   0.00     0.00  -0.11   0.03     0.13   0.01  -0.02
     6   6     0.15   0.05   0.01    -0.04   0.21  -0.00    -0.04  -0.04   0.02
     7   1     0.29   0.07   0.03    -0.06   0.27   0.05    -0.08  -0.07  -0.01
     8   6     0.07   0.05  -0.02    -0.03   0.23  -0.10    -0.12  -0.05   0.06
     9   1     0.14   0.07  -0.02    -0.05   0.29  -0.15    -0.25  -0.08   0.07
    10   6    -0.10   0.02  -0.04     0.02   0.13  -0.14     0.00  -0.00   0.08
    11   1    -0.19   0.01  -0.06     0.03   0.11  -0.22    -0.03   0.01   0.11
    12   6    -0.12   0.01  -0.02     0.03   0.06  -0.05     0.15   0.03   0.05
    13   6    -0.12  -0.01  -0.02     0.03  -0.00  -0.03     0.06   0.06   0.03
    14   1    -0.20  -0.01  -0.03     0.04  -0.04  -0.06     0.09   0.07   0.05
    15   6     0.03  -0.02   0.02    -0.01  -0.00   0.02    -0.11   0.03  -0.02
    16   1     0.03  -0.07   0.07    -0.01   0.02  -0.01    -0.11   0.02  -0.02
    17   6     0.14   0.01   0.00    -0.07  -0.01   0.04    -0.09  -0.06  -0.09
    18   1     0.25  -0.03   0.01    -0.12   0.02   0.04    -0.15  -0.03  -0.12
    19   1     0.16   0.13  -0.03    -0.08  -0.06   0.07    -0.10  -0.13  -0.19
    20   6     0.09  -0.04   0.02    -0.05   0.02   0.03     0.08  -0.13  -0.00
    21   1     0.09  -0.18   0.05    -0.05   0.10   0.01     0.09  -0.13   0.15
    22   1     0.18   0.01   0.00    -0.11  -0.00   0.04     0.20  -0.18  -0.08
    23   6    -0.09   0.04   0.02     0.05  -0.02   0.03     0.08  -0.13   0.00
    24   1    -0.18  -0.01   0.00     0.11   0.00   0.04     0.20  -0.18   0.08
    25   1    -0.09   0.18   0.05     0.05  -0.10   0.01     0.09  -0.13  -0.15
    26   6    -0.14  -0.01   0.00     0.07   0.01   0.04    -0.09  -0.06   0.09
    27   1    -0.16  -0.13  -0.03     0.08   0.06   0.07    -0.10  -0.13   0.19
    28   1    -0.25   0.03   0.01     0.12  -0.02   0.04    -0.15  -0.03   0.12
    29   6    -0.03   0.02   0.02     0.01   0.00   0.02    -0.11   0.03   0.02
    30   1    -0.03   0.07   0.07     0.01  -0.02  -0.01    -0.11   0.02   0.02
    31   6     0.12   0.01  -0.02    -0.03   0.00  -0.03     0.06   0.06  -0.03
    32   1     0.20   0.01  -0.03    -0.04   0.04  -0.06     0.09   0.07  -0.05
    33   6     0.12  -0.01  -0.02    -0.03  -0.06  -0.05     0.15   0.03  -0.05
    34   6     0.10  -0.02  -0.04    -0.02  -0.13  -0.14     0.00  -0.00  -0.08
    35   1     0.19  -0.01  -0.06    -0.03  -0.11  -0.22    -0.03   0.01  -0.11
    36   6    -0.07  -0.05  -0.02     0.03  -0.23  -0.10    -0.12  -0.05  -0.06
    37   1    -0.14  -0.07  -0.02     0.05  -0.29  -0.15    -0.25  -0.08  -0.07
    38   6    -0.15  -0.05   0.01     0.04  -0.21  -0.00    -0.04  -0.04  -0.02
    39   1    -0.29  -0.07   0.03     0.06  -0.27   0.05    -0.08  -0.07   0.01
                      7                      8                      9
                      A                      B                      B
 Frequencies --    153.4444               166.3691               213.9594
 Red. masses --      5.1229                 4.2609                 3.5944
 Frc consts  --      0.0711                 0.0695                 0.0969
 IR Inten    --      0.2152                 0.9646                 0.1998
 RamAct Fr= 1--      5.5405                 0.5992                 0.1757
  Dep-P Fr= 1--      0.7274                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8422                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0022                 0.0000                 0.0000
 Beta2  Fr= 1--      0.7777                 0.0856                 0.0251
 AlphaG Fr= 1--     -0.0459                -0.0000                -0.0000
 Gamma2 Fr= 1--     -1.7754                 1.2615                 2.2591
 Delta2 Fr= 1--     -0.0896                 0.2172                 0.2033
 Raman1 Fr= 1--      22.162                  2.397                  0.703
 ROA1   Fr= 1--    -173.303                128.051                223.382
 CID1   Fr= 1--      -7.820                 53.429                317.840
 Raman2 Fr= 1--       9.332                  1.027                  0.301
 ROA2   Fr= 1--     -41.892                 28.538                 52.592
 CID2   Fr= 1--      -4.489                 27.783                174.605
 Raman3 Fr= 1--      18.664                  2.054                  0.602
 ROA3   Fr= 1--    -173.303                128.051                223.382
 CID3   Fr= 1--      -9.285                 62.333                370.813
 RC180  Fr= 1--       0.684                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00  -0.00  -0.00     0.01  -0.05  -0.00     0.10   0.01   0.00
     2   7     0.27  -0.00   0.01     0.09  -0.01  -0.01    -0.14  -0.00  -0.01
     3   7     0.12  -0.00   0.00    -0.06  -0.07   0.01     0.10   0.01   0.00
     4   7    -0.12   0.00   0.00    -0.06  -0.07  -0.01     0.10   0.01  -0.00
     5   7    -0.27   0.00   0.01     0.09  -0.01   0.01    -0.14  -0.00   0.01
     6   6     0.15  -0.02   0.00    -0.02   0.04  -0.03    -0.08  -0.00  -0.00
     7   1     0.26  -0.01   0.01    -0.05   0.08   0.00    -0.13  -0.01  -0.00
     8   6    -0.12  -0.03  -0.00    -0.07   0.05  -0.08     0.06   0.00   0.01
     9   1    -0.25  -0.04  -0.01    -0.15   0.08  -0.11     0.13   0.00   0.01
    10   6    -0.15  -0.03  -0.00     0.01   0.00  -0.10     0.06   0.00   0.01
    11   1    -0.34  -0.03  -0.01    -0.00  -0.01  -0.14     0.15   0.01   0.02
    12   6     0.10  -0.01   0.00     0.10  -0.02  -0.04    -0.08  -0.00   0.00
    13   6     0.06  -0.00  -0.00     0.04  -0.06  -0.03    -0.04   0.00  -0.00
    14   1    -0.03  -0.00  -0.01     0.05  -0.09  -0.06    -0.12   0.01  -0.00
    15   6     0.02  -0.01  -0.01    -0.10  -0.05   0.02    -0.04   0.01  -0.03
    16   1     0.01  -0.02  -0.09    -0.10  -0.07  -0.01    -0.05   0.02  -0.13
    17   6    -0.06  -0.01   0.01    -0.08   0.04   0.09    -0.15  -0.03  -0.01
    18   1    -0.11   0.02   0.00    -0.14   0.07   0.23    -0.32   0.05   0.01
    19   1    -0.07  -0.06   0.06    -0.09  -0.03   0.02    -0.18  -0.23  -0.07
    20   6    -0.07   0.03  -0.01     0.08   0.18   0.07     0.08   0.01   0.04
    21   1    -0.07   0.13  -0.06     0.09   0.21   0.20     0.09   0.03   0.24
    22   1    -0.15  -0.00   0.01     0.17   0.23   0.06     0.22  -0.00  -0.02
    23   6     0.07  -0.03  -0.01     0.08   0.18  -0.07     0.08   0.01  -0.04
    24   1     0.15   0.00   0.01     0.17   0.23  -0.06     0.22  -0.00   0.02
    25   1     0.07  -0.13  -0.06     0.09   0.21  -0.20     0.09   0.03  -0.24
    26   6     0.06   0.01   0.01    -0.08   0.04  -0.09    -0.15  -0.03   0.01
    27   1     0.07   0.06   0.06    -0.09  -0.03  -0.02    -0.18  -0.23   0.07
    28   1     0.11  -0.02   0.00    -0.14   0.07  -0.23    -0.32   0.05  -0.01
    29   6    -0.02   0.01  -0.01    -0.10  -0.05  -0.02    -0.04   0.01   0.03
    30   1    -0.01   0.02  -0.09    -0.10  -0.07   0.01    -0.05   0.02   0.13
    31   6    -0.06   0.00  -0.00     0.04  -0.06   0.03    -0.04   0.00   0.00
    32   1     0.03   0.00  -0.01     0.05  -0.09   0.06    -0.12   0.01   0.00
    33   6    -0.10   0.01   0.00     0.10  -0.02   0.04    -0.08  -0.00  -0.00
    34   6     0.15   0.03  -0.00     0.01   0.00   0.10     0.06   0.00  -0.01
    35   1     0.34   0.03  -0.01    -0.00  -0.01   0.14     0.15   0.01  -0.02
    36   6     0.12   0.03  -0.00    -0.07   0.05   0.08     0.06   0.00  -0.01
    37   1     0.25   0.04  -0.01    -0.15   0.08   0.11     0.13   0.00  -0.01
    38   6    -0.15   0.02   0.00    -0.02   0.04   0.03    -0.08  -0.00   0.00
    39   1    -0.26   0.01   0.01    -0.05   0.08  -0.00    -0.13  -0.01   0.00
                     10                     11                     12
                      B                      A                      B
 Frequencies --    254.3723               258.4262               274.7929
 Red. masses --      5.7017                 4.0730                 3.4535
 Frc consts  --      0.2174                 0.1603                 0.1536
 IR Inten    --      3.4473                 2.0117                 0.0815
 RamAct Fr= 1--      6.6393                 6.7623                 0.3204
  Dep-P Fr= 1--      0.7500                 0.3031                 0.7500
  Dep-U Fr= 1--      0.8571                 0.4652                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0687                 0.0000
 Beta2  Fr= 1--      0.9485                 0.5243                 0.0458
 AlphaG Fr= 1--      0.0000                 4.4792                 0.0000
 Gamma2 Fr= 1--     -0.4479                 3.9869                 1.4020
 Delta2 Fr= 1--     -0.0246                 1.1730                 0.0417
 Raman1 Fr= 1--      26.557                 27.049                  1.282
 ROA1   Fr= 1--     -43.784                420.276                135.923
 CID1   Fr= 1--      -1.649                 15.538                106.044
 Raman2 Fr= 1--      11.382                  6.292                  0.549
 ROA2   Fr= 1--     -10.552                 86.301                 33.313
 CID2   Fr= 1--      -0.927                 13.717                 60.644
 Raman3 Fr= 1--      22.763                 12.583                  1.099
 ROA3   Fr= 1--     -43.784                420.276                135.923
 CID3   Fr= 1--      -1.923                 33.400                123.718
 RC180  Fr= 1--       0.714                 -0.070                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.01  -0.06  -0.00     0.00  -0.00   0.00     0.11  -0.01  -0.00
     2   7    -0.00  -0.01   0.21    -0.12  -0.02  -0.01    -0.03  -0.00   0.01
     3   7     0.01  -0.03   0.05     0.22  -0.02   0.01    -0.12  -0.01   0.00
     4   7     0.01  -0.03  -0.05    -0.22   0.02   0.01    -0.12  -0.01  -0.00
     5   7    -0.00  -0.01  -0.21     0.12   0.02  -0.01    -0.03  -0.00  -0.01
     6   6    -0.00   0.16   0.19     0.00  -0.02  -0.01    -0.11   0.00   0.00
     7   1     0.01   0.27   0.30     0.05  -0.02  -0.00    -0.21   0.01   0.00
     8   6    -0.01   0.18   0.05     0.07  -0.02  -0.01    -0.01   0.01  -0.00
     9   1    -0.02   0.28  -0.01     0.16  -0.01  -0.00    -0.02   0.01  -0.01
    10   6    -0.02   0.03  -0.00    -0.03  -0.03  -0.02     0.10   0.01   0.00
    11   1    -0.02  -0.00  -0.13    -0.01  -0.02  -0.02     0.19   0.01  -0.00
    12   6    -0.01  -0.06   0.13    -0.13  -0.03  -0.02     0.04  -0.00   0.01
    13   6     0.01  -0.05   0.13     0.05  -0.02  -0.01    -0.11  -0.01  -0.00
    14   1     0.02  -0.01   0.17     0.05  -0.02  -0.01    -0.20  -0.01  -0.01
    15   6     0.02   0.00   0.02     0.09  -0.04   0.00    -0.10  -0.02   0.02
    16   1     0.02   0.02   0.02     0.06  -0.16  -0.09    -0.10  -0.09   0.11
    17   6    -0.01  -0.04   0.00     0.02   0.01   0.06     0.11   0.04  -0.02
    18   1    -0.03  -0.03  -0.04     0.06  -0.01   0.04     0.34  -0.06   0.00
    19   1    -0.01  -0.06   0.01     0.03   0.05   0.19     0.14   0.30  -0.06
    20   6    -0.01  -0.07   0.01    -0.12   0.05  -0.01    -0.03  -0.01  -0.03
    21   1    -0.01  -0.08   0.02    -0.13   0.24  -0.21    -0.04  -0.04  -0.15
    22   1     0.01  -0.06   0.01    -0.37   0.01   0.07    -0.10  -0.02  -0.01
    23   6    -0.01  -0.07  -0.01     0.12  -0.05  -0.01    -0.03  -0.01   0.03
    24   1     0.01  -0.06  -0.01     0.37  -0.01   0.07    -0.10  -0.02   0.01
    25   1    -0.01  -0.08  -0.02     0.13  -0.24  -0.21    -0.04  -0.04   0.15
    26   6    -0.01  -0.04  -0.00    -0.02  -0.01   0.06     0.11   0.04   0.02
    27   1    -0.01  -0.06  -0.01    -0.03  -0.05   0.19     0.14   0.30   0.06
    28   1    -0.03  -0.03   0.04    -0.06   0.01   0.04     0.34  -0.06  -0.00
    29   6     0.02   0.00  -0.02    -0.09   0.04   0.00    -0.10  -0.02  -0.02
    30   1     0.02   0.02  -0.02    -0.06   0.16  -0.09    -0.10  -0.09  -0.11
    31   6     0.01  -0.05  -0.13    -0.05   0.02  -0.01    -0.11  -0.01   0.00
    32   1     0.02  -0.01  -0.17    -0.05   0.02  -0.01    -0.20  -0.01   0.01
    33   6    -0.01  -0.06  -0.13     0.13   0.03  -0.02     0.04  -0.00  -0.01
    34   6    -0.02   0.03   0.00     0.03   0.03  -0.02     0.10   0.01  -0.00
    35   1    -0.02  -0.00   0.13     0.01   0.02  -0.02     0.19   0.01   0.00
    36   6    -0.01   0.18  -0.05    -0.07   0.02  -0.01    -0.01   0.01   0.00
    37   1    -0.02   0.28   0.01    -0.16   0.01  -0.00    -0.02   0.01   0.01
    38   6    -0.00   0.16  -0.19    -0.00   0.02  -0.01    -0.11   0.00  -0.00
    39   1     0.01   0.27  -0.30    -0.05   0.02  -0.00    -0.21   0.01  -0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    277.5385               332.1465               340.4614
 Red. masses --      5.4608                 3.2960                 2.9470
 Frc consts  --      0.2478                 0.2142                 0.2013
 IR Inten    --      1.6958                 0.4416                 0.3676
 RamAct Fr= 1--      3.6731                30.1101                 8.2748
  Dep-P Fr= 1--      0.7498                 0.1008                 0.1034
  Dep-U Fr= 1--      0.8570                 0.1832                 0.1875
 Alpha2 Fr= 1--      0.0000                 0.5261                 0.1437
 Beta2  Fr= 1--      0.5247                 0.9194                 0.2586
 AlphaG Fr= 1--      0.0075                 3.3835                -3.5113
 Gamma2 Fr= 1--      0.2056                 1.7131                -4.3104
 Delta2 Fr= 1--      0.0961                 0.3033                -1.3936
 Raman1 Fr= 1--      14.692                120.440                 33.099
 ROA1   Fr= 1--      22.810                174.166               -458.397
 CID1   Fr= 1--       1.553                  1.446                -13.849
 Raman2 Fr= 1--       6.296                 11.033                  3.103
 ROA2   Fr= 1--       4.165                 38.690                -92.302
 CID2   Fr= 1--       0.662                  3.507                -29.749
 Raman3 Fr= 1--      12.592                 22.066                  6.205
 ROA3   Fr= 1--      22.810                174.166               -458.397
 CID3   Fr= 1--       1.812                  7.893                -73.872
 RC180  Fr= 1--       0.714                 -0.634                 -0.625
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.00  -0.08    -0.00   0.00  -0.03    -0.00   0.00  -0.03
     2   7     0.01   0.05  -0.15     0.02   0.09  -0.02    -0.05   0.05  -0.00
     3   7    -0.01   0.04   0.04    -0.05   0.08   0.01     0.12   0.06   0.00
     4   7     0.01  -0.04   0.04     0.05  -0.08   0.01    -0.12  -0.06   0.00
     5   7    -0.01  -0.05  -0.15    -0.02  -0.09  -0.02     0.05  -0.05  -0.00
     6   6     0.01  -0.05  -0.13     0.00   0.03  -0.01     0.02   0.03   0.01
     7   1     0.01  -0.10  -0.19    -0.00  -0.02  -0.05     0.07   0.01  -0.00
     8   6     0.00  -0.06  -0.04    -0.01   0.02   0.08     0.02   0.02   0.06
     9   1     0.00  -0.13   0.01    -0.02  -0.04   0.11     0.05  -0.00   0.07
    10   6     0.00   0.04   0.00    -0.00   0.09   0.10    -0.05   0.06   0.06
    11   1    -0.00   0.06   0.08    -0.01   0.11   0.18    -0.06   0.07   0.10
    12   6     0.01   0.10  -0.07     0.01   0.13   0.02    -0.06   0.07   0.02
    13   6    -0.00   0.07  -0.06    -0.02   0.10   0.01     0.08   0.06   0.02
    14   1    -0.00   0.02  -0.12    -0.01   0.08  -0.01     0.13   0.06   0.03
    15   6     0.00   0.00   0.12     0.01   0.00   0.02     0.00   0.01  -0.02
    16   1     0.00  -0.00   0.10     0.01  -0.02   0.09    -0.00   0.02  -0.10
    17   6    -0.03   0.01   0.18     0.08   0.00  -0.02    -0.08  -0.06  -0.06
    18   1    -0.05   0.02   0.19     0.20  -0.05  -0.03    -0.26   0.02  -0.06
    19   1    -0.03  -0.02   0.20     0.11   0.14   0.03    -0.11  -0.26  -0.13
    20   6     0.01  -0.00   0.24    -0.08   0.03  -0.10     0.09  -0.04  -0.02
    21   1     0.01  -0.02   0.30    -0.09   0.17  -0.33     0.10  -0.18   0.19
    22   1     0.07  -0.03   0.19    -0.32   0.03  -0.01     0.31   0.01  -0.08
    23   6    -0.01   0.00   0.24     0.08  -0.03  -0.10    -0.09   0.04  -0.02
    24   1    -0.07   0.03   0.19     0.32  -0.03  -0.01    -0.31  -0.01  -0.08
    25   1    -0.01   0.02   0.30     0.09  -0.17  -0.33    -0.10   0.18   0.19
    26   6     0.03  -0.01   0.18    -0.08  -0.00  -0.02     0.08   0.06  -0.06
    27   1     0.03   0.02   0.20    -0.11  -0.14   0.03     0.11   0.26  -0.13
    28   1     0.05  -0.02   0.19    -0.20   0.05  -0.03     0.26  -0.02  -0.06
    29   6    -0.00  -0.00   0.12    -0.01  -0.00   0.02    -0.00  -0.01  -0.02
    30   1    -0.00   0.00   0.10    -0.01   0.02   0.09     0.00  -0.02  -0.10
    31   6     0.00  -0.07  -0.06     0.02  -0.10   0.01    -0.08  -0.06   0.02
    32   1     0.00  -0.02  -0.12     0.01  -0.08  -0.01    -0.13  -0.06   0.03
    33   6    -0.01  -0.10  -0.07    -0.01  -0.13   0.02     0.06  -0.07   0.02
    34   6    -0.00  -0.04   0.00     0.00  -0.09   0.10     0.05  -0.06   0.06
    35   1     0.00  -0.06   0.08     0.01  -0.11   0.18     0.06  -0.07   0.10
    36   6    -0.00   0.06  -0.04     0.01  -0.02   0.08    -0.02  -0.02   0.06
    37   1    -0.00   0.13   0.01     0.02   0.04   0.11    -0.05   0.00   0.07
    38   6    -0.01   0.05  -0.13    -0.00  -0.03  -0.01    -0.02  -0.03   0.01
    39   1    -0.01   0.10  -0.19     0.00   0.02  -0.05    -0.07  -0.01  -0.00
                     16                     17                     18
                      B                      A                      A
 Frequencies --    362.6339               387.4697               400.1794
 Red. masses --      4.6256                 3.5015                 5.8685
 Frc consts  --      0.3584                 0.3097                 0.5537
 IR Inten    --      0.1400                 1.9704                 2.6023
 RamAct Fr= 1--     14.8948                 2.5139                 9.9939
  Dep-P Fr= 1--      0.7500                 0.4529                 0.1453
  Dep-U Fr= 1--      0.8571                 0.6235                 0.2537
 Alpha2 Fr= 1--      0.0000                 0.0152                 0.1563
 Beta2  Fr= 1--      2.1278                 0.2612                 0.4226
 AlphaG Fr= 1--      0.0000                 2.0024                -3.3763
 Gamma2 Fr= 1--      9.2580                -7.7066                 5.5188
 Delta2 Fr= 1--      0.1265                 0.6675                -2.2255
 Raman1 Fr= 1--      59.579                 10.055                 39.976
 ROA1   Fr= 1--     892.821               -718.470                458.588
 CID1   Fr= 1--      14.985                -71.451                 11.472
 Raman2 Fr= 1--      25.534                  3.135                  5.072
 ROA2   Fr= 1--     221.181               -190.297                150.255
 CID2   Fr= 1--       8.662                -60.708                 29.626
 Raman3 Fr= 1--      51.068                  6.269                 10.144
 ROA3   Fr= 1--     892.821               -718.470                458.588
 CID3   Fr= 1--      17.483               -114.602                 45.210
 RC180  Fr= 1--       0.714                  0.247                 -0.493
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.02   0.08   0.00    -0.00   0.00   0.10    -0.00  -0.00   0.20
     2   7     0.00   0.07  -0.01     0.05   0.03  -0.05    -0.05   0.02  -0.10
     3   7    -0.05  -0.05   0.05     0.13  -0.00   0.02    -0.12  -0.02   0.02
     4   7    -0.05  -0.05  -0.05    -0.13   0.00   0.02     0.12   0.02   0.02
     5   7     0.00   0.07   0.01    -0.05  -0.03  -0.05     0.05  -0.02  -0.10
     6   6    -0.02  -0.00   0.01    -0.07  -0.03  -0.05     0.06  -0.07  -0.10
     7   1    -0.03  -0.05  -0.04    -0.18  -0.08  -0.09     0.15  -0.12  -0.15
     8   6    -0.01  -0.01   0.08    -0.01  -0.04   0.00     0.02  -0.09  -0.03
     9   1    -0.01  -0.05   0.10    -0.01  -0.08   0.02     0.03  -0.14   0.00
    10   6     0.01   0.06   0.10     0.08   0.01   0.02    -0.07  -0.01  -0.01
    11   1     0.02   0.08   0.18     0.13   0.03   0.08    -0.11   0.01   0.07
    12   6     0.01   0.09   0.02     0.04   0.05  -0.03    -0.04   0.05  -0.08
    13   6    -0.03  -0.01   0.00    -0.18   0.01  -0.05     0.15   0.01  -0.06
    14   1    -0.03  -0.07  -0.05    -0.54  -0.02  -0.11     0.47  -0.04  -0.10
    15   6     0.07  -0.15   0.09     0.01  -0.01  -0.01    -0.01  -0.02   0.02
    16   1     0.07  -0.12   0.16     0.01  -0.03  -0.06    -0.00   0.01   0.08
    17   6     0.02  -0.14   0.18    -0.02  -0.03  -0.03     0.01  -0.06  -0.03
    18   1    -0.05  -0.11   0.21    -0.08  -0.01  -0.03    -0.04  -0.04  -0.03
    19   1     0.01  -0.22   0.27    -0.03  -0.10  -0.05     0.00  -0.10  -0.05
    20   6    -0.03  -0.01   0.10     0.02  -0.01  -0.04     0.01  -0.01  -0.07
    21   1    -0.03  -0.02   0.09     0.02  -0.04  -0.00     0.00  -0.01  -0.10
    22   1    -0.03   0.12   0.18     0.07   0.01  -0.04    -0.02   0.03  -0.04
    23   6    -0.03  -0.01  -0.10    -0.02   0.01  -0.04    -0.01   0.01  -0.07
    24   1    -0.03   0.12  -0.18    -0.07  -0.01  -0.04     0.02  -0.03  -0.04
    25   1    -0.03  -0.02  -0.09    -0.02   0.04  -0.00    -0.00   0.01  -0.10
    26   6     0.02  -0.14  -0.18     0.02   0.03  -0.03    -0.01   0.06  -0.03
    27   1     0.01  -0.22  -0.27     0.03   0.10  -0.05    -0.00   0.10  -0.05
    28   1    -0.05  -0.11  -0.21     0.08   0.01  -0.03     0.04   0.04  -0.03
    29   6     0.07  -0.15  -0.09    -0.01   0.01  -0.01     0.01   0.02   0.02
    30   1     0.07  -0.12  -0.16    -0.01   0.03  -0.06     0.00  -0.01   0.08
    31   6    -0.03  -0.01  -0.00     0.18  -0.01  -0.05    -0.15  -0.01  -0.06
    32   1    -0.03  -0.07   0.05     0.54   0.02  -0.11    -0.47   0.04  -0.10
    33   6     0.01   0.09  -0.02    -0.04  -0.05  -0.03     0.04  -0.05  -0.08
    34   6     0.01   0.06  -0.10    -0.08  -0.01   0.02     0.07   0.01  -0.01
    35   1     0.02   0.08  -0.18    -0.13  -0.03   0.08     0.11  -0.01   0.07
    36   6    -0.01  -0.01  -0.08     0.01   0.04   0.00    -0.02   0.09  -0.03
    37   1    -0.01  -0.05  -0.10     0.01   0.08   0.02    -0.03   0.14   0.00
    38   6    -0.02  -0.00  -0.01     0.07   0.03  -0.05    -0.06   0.07  -0.10
    39   1    -0.03  -0.05   0.04     0.18   0.08  -0.09    -0.15   0.12  -0.15
                     19                     20                     21
                      B                      B                      B
 Frequencies --    403.7349               427.0311               444.7521
 Red. masses --      3.0545                 3.9450                 6.2776
 Frc consts  --      0.2933                 0.4239                 0.7316
 IR Inten    --      6.1772                20.0852                 9.7146
 RamAct Fr= 1--      0.1243                 1.4023                14.6706
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0178                 0.2003                 2.0958
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0611                 9.4905               -11.0652
 Delta2 Fr= 1--      0.2028                 1.0187                 1.7686
 Raman1 Fr= 1--       0.497                  5.609                 58.682
 ROA1   Fr= 1--       0.626                943.684              -1005.667
 CID1   Fr= 1--       1.259                168.244                -17.137
 Raman2 Fr= 1--       0.213                  2.404                 25.150
 ROA2   Fr= 1--      -3.088                219.622               -279.715
 CID2   Fr= 1--     -14.489                 91.362                -11.122
 Raman3 Fr= 1--       0.426                  4.808                 50.299
 ROA3   Fr= 1--       0.626                943.684              -1005.667
 CID3   Fr= 1--       1.468                196.285                -19.994
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.02   0.04   0.00    -0.07   0.07   0.00     0.03   0.20   0.00
     2   7    -0.08   0.01   0.01     0.07  -0.00   0.04    -0.02  -0.10   0.08
     3   7     0.02  -0.02  -0.00     0.21  -0.01  -0.01    -0.12   0.02  -0.11
     4   7     0.02  -0.02   0.00     0.21  -0.01   0.01    -0.12   0.02   0.11
     5   7    -0.08   0.01  -0.01     0.07  -0.00  -0.04    -0.02  -0.10  -0.08
     6   6     0.05   0.00   0.02    -0.02  -0.00   0.04    -0.01  -0.03   0.07
     7   1     0.13  -0.00   0.01    -0.08   0.00   0.04    -0.01   0.03   0.13
     8   6     0.02  -0.00   0.02    -0.02  -0.01   0.02     0.01  -0.02  -0.06
     9   1     0.05  -0.00   0.03    -0.03   0.01   0.01     0.00   0.07  -0.11
    10   6    -0.08   0.00   0.02     0.04  -0.02   0.01     0.01  -0.13  -0.10
    11   1    -0.12   0.00   0.03     0.05  -0.02  -0.00     0.03  -0.16  -0.21
    12   6    -0.07   0.01   0.00     0.06  -0.02   0.01    -0.01  -0.17   0.01
    13   6     0.17  -0.01   0.01    -0.11  -0.03  -0.02     0.01  -0.02  -0.01
    14   1     0.38  -0.02   0.02    -0.48  -0.01  -0.03     0.14   0.08   0.12
    15   6    -0.16  -0.09  -0.01    -0.09  -0.09  -0.05     0.07  -0.04  -0.03
    16   1    -0.19  -0.25  -0.05    -0.11  -0.24  -0.15     0.09   0.04   0.05
    17   6     0.02   0.01  -0.00     0.01   0.00  -0.01    -0.00  -0.06  -0.01
    18   1     0.23  -0.08   0.08     0.15  -0.06   0.08    -0.19   0.03   0.07
    19   1     0.05   0.24  -0.09     0.03   0.15  -0.08    -0.03  -0.25   0.03
    20   6     0.01   0.01  -0.00     0.02   0.02  -0.02     0.02   0.08  -0.05
    21   1     0.01  -0.01  -0.00     0.01   0.03  -0.03     0.01   0.17  -0.18
    22   1     0.02   0.01  -0.01    -0.00   0.01  -0.02    -0.15   0.04  -0.01
    23   6     0.01   0.01   0.00     0.02   0.02   0.02     0.02   0.08   0.05
    24   1     0.02   0.01   0.01    -0.00   0.01   0.02    -0.15   0.04   0.01
    25   1     0.01  -0.01   0.00     0.01   0.03   0.03     0.01   0.17   0.18
    26   6     0.02   0.01   0.00     0.01   0.00   0.01    -0.00  -0.06   0.01
    27   1     0.05   0.24   0.09     0.03   0.15   0.08    -0.03  -0.25  -0.03
    28   1     0.23  -0.08  -0.08     0.15  -0.06  -0.08    -0.19   0.03  -0.07
    29   6    -0.16  -0.09   0.01    -0.09  -0.09   0.05     0.07  -0.04   0.03
    30   1    -0.19  -0.25   0.05    -0.11  -0.24   0.15     0.09   0.04  -0.05
    31   6     0.17  -0.01  -0.01    -0.11  -0.03   0.02     0.01  -0.02   0.01
    32   1     0.38  -0.02  -0.02    -0.48  -0.01   0.03     0.14   0.08  -0.12
    33   6    -0.07   0.01  -0.00     0.06  -0.02  -0.01    -0.01  -0.17  -0.01
    34   6    -0.08   0.00  -0.02     0.04  -0.02  -0.01     0.01  -0.13   0.10
    35   1    -0.12   0.00  -0.03     0.05  -0.02   0.00     0.03  -0.16   0.21
    36   6     0.02  -0.00  -0.02    -0.02  -0.01  -0.02     0.01  -0.02   0.06
    37   1     0.05  -0.00  -0.03    -0.03   0.01  -0.01     0.00   0.07   0.11
    38   6     0.05   0.00  -0.02    -0.02  -0.00  -0.04    -0.01  -0.03  -0.07
    39   1     0.13  -0.00  -0.01    -0.08   0.00  -0.04    -0.01   0.03  -0.13
                     22                     23                     24
                      A                      B                      A
 Frequencies --    470.5519               489.8625               573.8950
 Red. masses --      3.0700                 2.3348                 5.3475
 Frc consts  --      0.4005                 0.3301                 1.0377
 IR Inten    --      1.1387                 4.0366                 1.3244
 RamAct Fr= 1--      4.0811                 3.3913                 6.0288
  Dep-P Fr= 1--      0.0693                 0.7500                 0.1191
  Dep-U Fr= 1--      0.1297                 0.8571                 0.2128
 Alpha2 Fr= 1--      0.0770                 0.0000                 0.1007
 Beta2  Fr= 1--      0.0882                 0.4845                 0.2138
 AlphaG Fr= 1--     -0.9424                 0.0000                 0.7911
 Gamma2 Fr= 1--     -1.9528                 0.1666                 0.1744
 Delta2 Fr= 1--     -0.5526                -0.4459                -0.3867
 Raman1 Fr= 1--      16.325                 13.565                 24.115
 ROA1   Fr= 1--    -205.151                  1.727                  4.363
 CID1   Fr= 1--     -12.567                  0.127                  0.181
 Raman2 Fr= 1--       1.059                  5.814                  2.566
 ROA2   Fr= 1--     -42.446                  7.566                  7.279
 CID2   Fr= 1--     -40.097                  1.301                  2.837
 Raman3 Fr= 1--       2.117                 11.627                  5.132
 ROA3   Fr= 1--    -205.151                  1.727                  4.363
 CID3   Fr= 1--     -96.898                  0.149                  0.850
 RC180  Fr= 1--      -0.741                  0.714                 -0.574
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.00   0.04    -0.00   0.04  -0.00     0.00   0.00   0.06
     2   7    -0.01   0.03  -0.01     0.00  -0.04   0.00     0.00  -0.08   0.01
     3   7     0.03  -0.01  -0.03     0.01   0.02   0.03     0.03   0.26  -0.05
     4   7    -0.03   0.01  -0.03     0.01   0.02  -0.03    -0.03  -0.26  -0.05
     5   7     0.01  -0.03  -0.01     0.00  -0.04  -0.00    -0.00   0.08   0.01
     6   6     0.00   0.00  -0.00     0.00  -0.02  -0.01    -0.01  -0.01   0.01
     7   1     0.02  -0.02  -0.03    -0.00   0.01   0.01    -0.02   0.05   0.06
     8   6     0.00  -0.01   0.03     0.00  -0.01  -0.05     0.01  -0.00  -0.08
     9   1     0.01  -0.03   0.04     0.00   0.01  -0.07     0.02   0.05  -0.11
    10   6    -0.01   0.02   0.04     0.00  -0.04  -0.06     0.00  -0.07  -0.10
    11   1    -0.02   0.03   0.08     0.01  -0.06  -0.11     0.01  -0.11  -0.22
    12   6    -0.01   0.04  -0.01     0.00  -0.05  -0.00    -0.00  -0.08   0.02
    13   6     0.02  -0.00  -0.02     0.00   0.02   0.01    -0.00   0.25   0.01
    14   1     0.02  -0.01  -0.03    -0.01   0.03   0.03    -0.06   0.41   0.20
    15   6    -0.07   0.07  -0.11    -0.01   0.06   0.04    -0.03   0.07   0.05
    16   1    -0.06   0.15  -0.20    -0.01   0.06   0.03    -0.02   0.09   0.05
    17   6    -0.04   0.22  -0.05    -0.00   0.06   0.07     0.00   0.02  -0.01
    18   1     0.21   0.11  -0.07     0.18  -0.03  -0.05     0.06  -0.00  -0.01
    19   1    -0.00   0.46  -0.08     0.03   0.25   0.12     0.01   0.09  -0.03
    20   6    -0.02   0.02   0.08    -0.05  -0.09   0.13    -0.01   0.00   0.01
    21   1    -0.01   0.02   0.18    -0.03  -0.27   0.38    -0.01   0.01   0.00
    22   1     0.07  -0.11  -0.04     0.28   0.02   0.07    -0.02  -0.02   0.00
    23   6     0.02  -0.02   0.08    -0.05  -0.09  -0.13     0.01  -0.00   0.01
    24   1    -0.07   0.11  -0.04     0.28   0.02  -0.07     0.02   0.02   0.00
    25   1     0.01  -0.02   0.18    -0.03  -0.27  -0.38     0.01  -0.01   0.00
    26   6     0.04  -0.22  -0.05    -0.00   0.06  -0.07    -0.00  -0.02  -0.01
    27   1     0.00  -0.46  -0.08     0.03   0.25  -0.12    -0.01  -0.09  -0.03
    28   1    -0.21  -0.11  -0.07     0.18  -0.03   0.05    -0.06   0.00  -0.01
    29   6     0.07  -0.07  -0.11    -0.01   0.06  -0.04     0.03  -0.07   0.05
    30   1     0.06  -0.15  -0.20    -0.01   0.06  -0.03     0.02  -0.09   0.05
    31   6    -0.02   0.00  -0.02     0.00   0.02  -0.01     0.00  -0.25   0.01
    32   1    -0.02   0.01  -0.03    -0.01   0.03  -0.03     0.06  -0.41   0.20
    33   6     0.01  -0.04  -0.01     0.00  -0.05   0.00     0.00   0.08   0.02
    34   6     0.01  -0.02   0.04     0.00  -0.04   0.06    -0.00   0.07  -0.10
    35   1     0.02  -0.03   0.08     0.01  -0.06   0.11    -0.01   0.11  -0.22
    36   6    -0.00   0.01   0.03     0.00  -0.01   0.05    -0.01   0.00  -0.08
    37   1    -0.01   0.03   0.04     0.00   0.01   0.07    -0.02  -0.05  -0.11
    38   6    -0.00  -0.00  -0.00     0.00  -0.02   0.01     0.01   0.01   0.01
    39   1    -0.02   0.02  -0.03    -0.00   0.01  -0.01     0.02  -0.05   0.06
                     25                     26                     27
                      A                      B                      B
 Frequencies --    608.6311               612.0366               615.4482
 Red. masses --      2.8298                 4.4663                 3.1206
 Frc consts  --      0.6176                 0.9857                 0.6964
 IR Inten    --      0.0001                 3.7047                13.1535
 RamAct Fr= 1--      0.5660                 0.2485                 0.1910
  Dep-P Fr= 1--      0.2454                 0.7500                 0.7500
  Dep-U Fr= 1--      0.3941                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0068                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0372                 0.0355                 0.0273
 AlphaG Fr= 1--     -0.0827                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.3389                -0.7140                -0.4797
 Delta2 Fr= 1--      0.2408                -0.2273                 0.1864
 Raman1 Fr= 1--       2.264                  0.994                  0.764
 ROA1   Fr= 1--     -24.828                -75.813                -40.087
 CID1   Fr= 1--     -10.967                -76.277                -52.478
 Raman2 Fr= 1--       0.446                  0.426                  0.327
 ROA2   Fr= 1--     -10.060                -15.317                -13.004
 CID2   Fr= 1--     -22.553                -35.958                -39.722
 Raman3 Fr= 1--       0.892                  0.852                  0.655
 ROA3   Fr= 1--     -24.828                -75.813                -40.087
 CID3   Fr= 1--     -27.830                -88.989                -61.224
 RC180  Fr= 1--      -0.212                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00  -0.00  -0.00    -0.00  -0.08   0.00    -0.00   0.02   0.00
     2   7     0.06   0.00   0.00     0.02  -0.05   0.00     0.06   0.01   0.00
     3   7    -0.01  -0.01   0.00     0.03   0.20  -0.06    -0.02  -0.05   0.02
     4   7     0.01   0.01   0.00     0.03   0.20   0.06    -0.02  -0.05  -0.02
     5   7    -0.06  -0.00   0.00     0.02  -0.05  -0.00     0.06   0.01  -0.00
     6   6    -0.12  -0.01  -0.01    -0.04   0.00  -0.00    -0.13  -0.01  -0.01
     7   1    -0.47  -0.02  -0.03    -0.15   0.03   0.02    -0.44  -0.03  -0.03
     8   6     0.19   0.01   0.01     0.07   0.01  -0.02     0.19   0.01   0.02
     9   1     0.22   0.01   0.01     0.09   0.03  -0.03     0.24   0.01   0.02
    10   6    -0.15  -0.01  -0.01    -0.05  -0.03  -0.04    -0.15  -0.00  -0.00
    11   1    -0.38  -0.02  -0.02    -0.13  -0.05  -0.10    -0.37  -0.01   0.00
    12   6     0.06   0.00   0.00     0.03  -0.02   0.01     0.07   0.01   0.00
    13   6     0.02  -0.00   0.00     0.01   0.21  -0.01     0.02  -0.05   0.00
    14   1    -0.03  -0.01  -0.01    -0.08   0.34   0.13    -0.03  -0.09  -0.04
    15   6    -0.00  -0.00   0.00    -0.06  -0.06   0.02     0.01   0.02  -0.00
    16   1    -0.00   0.00   0.01    -0.07  -0.19   0.08     0.02   0.05  -0.01
    17   6     0.00  -0.00  -0.00     0.04  -0.11   0.08    -0.01   0.03  -0.02
    18   1     0.00  -0.00  -0.00     0.01  -0.10   0.16    -0.01   0.03  -0.04
    19   1     0.00   0.00  -0.00     0.03  -0.13   0.07    -0.01   0.03  -0.02
    20   6     0.00  -0.00  -0.00     0.01   0.01   0.03    -0.00  -0.00  -0.01
    21   1     0.00  -0.00  -0.00    -0.00   0.08  -0.10     0.00  -0.02   0.02
    22   1    -0.00   0.00  -0.00    -0.14   0.08   0.13     0.03  -0.02  -0.03
    23   6    -0.00   0.00  -0.00     0.01   0.01  -0.03    -0.00  -0.00   0.01
    24   1     0.00  -0.00  -0.00    -0.14   0.08  -0.13     0.03  -0.02   0.03
    25   1    -0.00   0.00  -0.00    -0.00   0.08   0.10     0.00  -0.02  -0.02
    26   6    -0.00   0.00  -0.00     0.04  -0.11  -0.08    -0.01   0.03   0.02
    27   1    -0.00  -0.00  -0.00     0.03  -0.13  -0.07    -0.01   0.03   0.02
    28   1    -0.00   0.00  -0.00     0.01  -0.10  -0.16    -0.01   0.03   0.04
    29   6     0.00   0.00   0.00    -0.06  -0.06  -0.02     0.01   0.02   0.00
    30   1     0.00  -0.00   0.01    -0.07  -0.19  -0.08     0.02   0.05   0.01
    31   6    -0.02   0.00   0.00     0.01   0.21   0.01     0.02  -0.05  -0.00
    32   1     0.03   0.01  -0.01    -0.08   0.34  -0.13    -0.03  -0.09   0.04
    33   6    -0.06  -0.00   0.00     0.03  -0.02  -0.01     0.07   0.01  -0.00
    34   6     0.15   0.01  -0.01    -0.05  -0.03   0.04    -0.15  -0.00   0.00
    35   1     0.38   0.02  -0.02    -0.13  -0.05   0.10    -0.37  -0.01  -0.00
    36   6    -0.19  -0.01   0.01     0.07   0.01   0.02     0.19   0.01  -0.02
    37   1    -0.22  -0.01   0.01     0.09   0.03   0.03     0.24   0.01  -0.02
    38   6     0.12   0.01  -0.01    -0.04   0.00   0.00    -0.13  -0.01   0.01
    39   1     0.47   0.02  -0.03    -0.15   0.03  -0.02    -0.44  -0.03   0.03
                     28                     29                     30
                      B                      A                      B
 Frequencies --    661.8961               662.6128               696.8617
 Red. masses --      3.5929                 5.3363                 3.7105
 Frc consts  --      0.9274                 1.3804                 1.0616
 IR Inten    --     12.4984                 0.0009                13.5540
 RamAct Fr= 1--      0.3188                 1.3000                 0.7677
  Dep-P Fr= 1--      0.7500                 0.4647                 0.7500
  Dep-U Fr= 1--      0.8571                 0.6345                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0075                 0.0000
 Beta2  Fr= 1--      0.0455                 0.1375                 0.1097
 AlphaG Fr= 1--      0.0000                -0.6890                -0.0000
 Gamma2 Fr= 1--      2.4515               -13.0916                -0.1389
 Delta2 Fr= 1--      2.1781                -0.6201                 0.2804
 Raman1 Fr= 1--       1.275                  5.200                  3.071
 ROA1   Fr= 1--     305.045              -1276.635                 -4.360
 CID1   Fr= 1--     239.234               -245.510                 -1.420
 Raman2 Fr= 1--       0.546                  1.650                  1.316
 ROA2   Fr= 1--      41.412               -309.238                 -5.576
 CID2   Fr= 1--      75.782               -187.445                 -4.237
 Raman3 Fr= 1--       1.093                  3.300                  2.632
 ROA3   Fr= 1--     305.045              -1276.635                 -4.360
 CID3   Fr= 1--     279.106               -386.917                 -1.657
 RC180  Fr= 1--       0.714                  0.269                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.04  -0.00     0.00  -0.00  -0.04     0.00  -0.00   0.00
     2   7    -0.03  -0.03  -0.04    -0.04  -0.03  -0.05    -0.21  -0.01  -0.00
     3   7     0.04  -0.02   0.20     0.06  -0.04   0.24    -0.01  -0.00  -0.03
     4   7     0.04  -0.02  -0.20    -0.06   0.04   0.24    -0.01  -0.00   0.03
     5   7    -0.03  -0.03   0.04     0.04   0.03  -0.05    -0.21  -0.01   0.00
     6   6     0.02  -0.03  -0.06     0.02  -0.03  -0.08     0.10   0.01   0.02
     7   1     0.04  -0.01  -0.04     0.07  -0.01  -0.06     0.16   0.01   0.02
     8   6     0.00  -0.02  -0.08     0.01  -0.02  -0.09     0.01   0.00   0.01
     9   1    -0.02  -0.04  -0.08    -0.01  -0.05  -0.08    -0.33  -0.01  -0.01
    10   6    -0.01   0.01  -0.06    -0.01   0.03  -0.06    -0.03  -0.01   0.01
    11   1    -0.04  -0.01  -0.12    -0.04   0.01  -0.13    -0.45  -0.02  -0.01
    12   6     0.03  -0.00   0.04     0.02   0.00   0.05     0.24   0.01   0.00
    13   6     0.01  -0.00   0.12     0.02  -0.03   0.15    -0.03  -0.00  -0.03
    14   1    -0.08  -0.05   0.06    -0.10  -0.11   0.07    -0.20  -0.00  -0.04
    15   6    -0.07   0.07   0.12    -0.14   0.06   0.14     0.02  -0.00  -0.01
    16   1    -0.08   0.00   0.15    -0.12   0.22   0.07     0.03   0.03  -0.00
    17   6     0.02  -0.03   0.02    -0.03   0.04  -0.05     0.00   0.00  -0.00
    18   1    -0.15   0.05  -0.04     0.17  -0.06  -0.06     0.01   0.00  -0.00
    19   1    -0.01  -0.18  -0.11    -0.01   0.27  -0.24     0.00   0.01   0.02
    20   6     0.05  -0.04  -0.04     0.02  -0.01  -0.12    -0.01   0.01   0.00
    21   1     0.03   0.16  -0.34     0.02  -0.03  -0.09    -0.01  -0.02   0.05
    22   1    -0.31  -0.08   0.09     0.05   0.05  -0.10     0.04   0.01  -0.01
    23   6     0.05  -0.04   0.04    -0.02   0.01  -0.12    -0.01   0.01  -0.00
    24   1    -0.31  -0.08  -0.09    -0.05  -0.05  -0.10     0.04   0.01   0.01
    25   1     0.03   0.16   0.34    -0.02   0.03  -0.09    -0.01  -0.02  -0.05
    26   6     0.02  -0.03  -0.02     0.03  -0.04  -0.05     0.00   0.00   0.00
    27   1    -0.01  -0.18   0.11     0.01  -0.27  -0.24     0.00   0.01  -0.02
    28   1    -0.15   0.05   0.04    -0.17   0.06  -0.06     0.01   0.00   0.00
    29   6    -0.07   0.07  -0.12     0.14  -0.06   0.14     0.02  -0.00   0.01
    30   1    -0.08   0.00  -0.15     0.12  -0.22   0.07     0.03   0.03   0.00
    31   6     0.01  -0.00  -0.12    -0.02   0.03   0.15    -0.03  -0.00   0.03
    32   1    -0.08  -0.05  -0.06     0.10   0.11   0.07    -0.20  -0.00   0.04
    33   6     0.03  -0.00  -0.04    -0.02  -0.00   0.05     0.24   0.01  -0.00
    34   6    -0.01   0.01   0.06     0.01  -0.03  -0.06    -0.03  -0.01  -0.01
    35   1    -0.04  -0.01   0.12     0.04  -0.01  -0.13    -0.45  -0.02   0.01
    36   6     0.00  -0.02   0.08    -0.01   0.02  -0.09     0.01   0.00  -0.01
    37   1    -0.02  -0.04   0.08     0.01   0.05  -0.08    -0.33  -0.01   0.01
    38   6     0.02  -0.03   0.06    -0.02   0.03  -0.08     0.10   0.01  -0.02
    39   1     0.04  -0.01   0.04    -0.07   0.01  -0.06     0.16   0.01  -0.02
                     31                     32                     33
                      A                      A                      B
 Frequencies --    697.6312               738.1509               741.6840
 Red. masses --      3.7056                 1.3191                 1.3341
 Frc consts  --      1.0626                 0.4235                 0.4324
 IR Inten    --      0.1141                 0.5979               111.5325
 RamAct Fr= 1--      1.4480                 9.1596                12.2324
  Dep-P Fr= 1--      0.3538                 0.7492                 0.7500
  Dep-U Fr= 1--      0.5227                 0.8566                 0.8571
 Alpha2 Fr= 1--      0.0126                 0.0001                 0.0000
 Beta2  Fr= 1--      0.1261                 1.3077                 1.7475
 AlphaG Fr= 1--     -1.5137                 0.0323                 0.0000
 Gamma2 Fr= 1--      0.9993                 3.6598                 4.5466
 Delta2 Fr= 1--     -1.1285                 3.3599                 1.1788
 Raman1 Fr= 1--       5.792                 36.638                 48.930
 ROA1   Fr= 1--      59.823                458.854                474.193
 CID1   Fr= 1--      10.329                 12.524                  9.691
 Raman2 Fr= 1--       1.514                 15.692                 20.970
 ROA2   Fr= 1--      33.011                 60.955                 99.687
 CID2   Fr= 1--      21.807                  3.884                  4.754
 Raman3 Fr= 1--       3.028                 31.385                 41.940
 ROA3   Fr= 1--      59.823                458.854                474.193
 CID3   Fr= 1--      19.760                 14.620                 11.307
 RC180  Fr= 1--       0.045                  0.713                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     2   7    -0.21  -0.01  -0.00    -0.02  -0.00   0.00    -0.02  -0.00  -0.00
     3   7     0.01   0.00  -0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   7    -0.01  -0.00  -0.02     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   7     0.21   0.01  -0.00     0.02   0.00   0.00    -0.02  -0.00   0.00
     6   6     0.09   0.01   0.02    -0.03  -0.00   0.00    -0.01  -0.00   0.00
     7   1     0.18   0.01   0.02     0.24   0.01   0.02     0.22   0.01   0.01
     8   6     0.02   0.00   0.01    -0.05  -0.00   0.00    -0.05  -0.00  -0.00
     9   1    -0.30  -0.01  -0.01     0.57   0.03   0.04     0.57   0.03   0.03
    10   6    -0.03  -0.01   0.01    -0.07  -0.01  -0.00    -0.07  -0.00  -0.00
    11   1    -0.46  -0.03  -0.01     0.30   0.01   0.02     0.32   0.01   0.02
    12   6     0.24   0.01   0.00     0.07   0.00   0.00     0.07   0.00   0.00
    13   6    -0.03   0.00  -0.03     0.00   0.00  -0.01     0.00  -0.00  -0.00
    14   1    -0.22   0.00  -0.04    -0.06  -0.00  -0.01    -0.06  -0.00  -0.01
    15   6     0.00  -0.01  -0.01    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    16   1     0.00  -0.02  -0.00    -0.00   0.00   0.00     0.00   0.01   0.00
    17   6     0.01  -0.02   0.01     0.00  -0.00   0.00     0.00   0.00  -0.00
    18   1     0.00  -0.01   0.02     0.01  -0.01   0.00    -0.00   0.00  -0.00
    19   1     0.01  -0.02   0.02     0.00   0.00   0.00     0.00  -0.00   0.00
    20   6    -0.00  -0.00   0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
    21   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    22   1    -0.01  -0.00   0.02    -0.00   0.00   0.00     0.00   0.00  -0.00
    23   6     0.00   0.00   0.01     0.00   0.00   0.00    -0.00   0.00  -0.00
    24   1     0.01   0.00   0.02     0.00  -0.00   0.00     0.00   0.00   0.00
    25   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    26   6    -0.01   0.02   0.01    -0.00   0.00   0.00     0.00   0.00   0.00
    27   1    -0.01   0.02   0.02    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    28   1    -0.00   0.01   0.02    -0.01   0.01   0.00    -0.00   0.00   0.00
    29   6    -0.00   0.01  -0.01     0.00   0.00  -0.00     0.00   0.00   0.00
    30   1    -0.00   0.02  -0.00     0.00  -0.00   0.00     0.00   0.01  -0.00
    31   6     0.03  -0.00  -0.03    -0.00  -0.00  -0.01     0.00  -0.00   0.00
    32   1     0.22  -0.00  -0.04     0.06   0.00  -0.01    -0.06  -0.00   0.01
    33   6    -0.24  -0.01   0.00    -0.07  -0.00   0.00     0.07   0.00  -0.00
    34   6     0.03   0.01   0.01     0.07   0.01  -0.00    -0.07  -0.00   0.00
    35   1     0.46   0.03  -0.01    -0.30  -0.01   0.02     0.32   0.01  -0.02
    36   6    -0.02  -0.00   0.01     0.05   0.00   0.00    -0.05  -0.00   0.00
    37   1     0.30   0.01  -0.01    -0.57  -0.03   0.04     0.57   0.03  -0.03
    38   6    -0.09  -0.01   0.02     0.03   0.00   0.00    -0.01  -0.00  -0.00
    39   1    -0.18  -0.01   0.02    -0.24  -0.01   0.02     0.22   0.01  -0.01
                     34                     35                     36
                      A                      B                      A
 Frequencies --    784.2491               808.2602               821.4294
 Red. masses --      2.3116                 3.4449                 1.3973
 Frc consts  --      0.8377                 1.3260                 0.5555
 IR Inten    --     20.6494                11.1505                 0.0683
 RamAct Fr= 1--      2.2577                 1.9538                 2.0246
  Dep-P Fr= 1--      0.2557                 0.7500                 0.5027
  Dep-U Fr= 1--      0.4073                 0.8571                 0.6691
 Alpha2 Fr= 1--      0.0263                 0.0000                 0.0099
 Beta2  Fr= 1--      0.1533                 0.2791                 0.2258
 AlphaG Fr= 1--      0.7458                -0.0000                -1.8505
 Gamma2 Fr= 1--      3.5768                 1.8422                -2.2428
 Delta2 Fr= 1--      0.2139                -0.3133                 0.5477
 Raman1 Fr= 1--       9.031                  7.815                  8.098
 ROA1   Fr= 1--     350.222                166.825               -197.779
 CID1   Fr= 1--      38.780                 21.346                -24.422
 Raman2 Fr= 1--       1.839                  3.349                  2.709
 ROA2   Fr= 1--      84.133                 46.719                -58.208
 CID2   Fr= 1--      45.745                 13.949                -21.486
 Raman3 Fr= 1--       3.678                  6.699                  5.418
 ROA3   Fr= 1--     350.222                166.825               -197.779
 CID3   Fr= 1--      95.213                 24.904                -36.503
 RC180  Fr= 1--      -0.185                  0.714                  0.338
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.00   0.01    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   7    -0.01  -0.01  -0.02     0.00  -0.03  -0.04     0.03  -0.00   0.00
     3   7    -0.02   0.00   0.01    -0.02   0.01  -0.03     0.00   0.00  -0.00
     4   7     0.02  -0.00   0.01    -0.02   0.01   0.03    -0.00  -0.00  -0.00
     5   7     0.01   0.01  -0.02     0.00  -0.03   0.04    -0.03   0.00   0.00
     6   6     0.00  -0.02  -0.05     0.00  -0.03  -0.09    -0.11  -0.00  -0.01
     7   1     0.03  -0.00  -0.04     0.02  -0.00  -0.07     0.50   0.03   0.04
     8   6     0.00  -0.00  -0.05     0.00  -0.00  -0.09     0.00  -0.00   0.00
     9   1     0.03  -0.06  -0.01     0.02  -0.12  -0.01     0.12   0.00   0.01
    10   6    -0.00   0.05  -0.01    -0.00   0.12  -0.01     0.07   0.00   0.00
    11   1    -0.03   0.04  -0.04    -0.03   0.10  -0.06    -0.46  -0.02  -0.03
    12   6     0.02   0.01   0.05     0.00   0.01   0.10    -0.01  -0.00   0.00
    13   6    -0.02  -0.01   0.10    -0.02  -0.02   0.20    -0.01   0.00   0.00
    14   1     0.02   0.04   0.17    -0.05   0.13   0.37     0.08   0.00   0.01
    15   6     0.12   0.04  -0.03     0.05  -0.09  -0.07    -0.00  -0.00  -0.00
    16   1     0.10  -0.07   0.05     0.05  -0.07  -0.08    -0.00  -0.00  -0.01
    17   6     0.05   0.12  -0.01    -0.01  -0.02  -0.05    -0.00  -0.00  -0.00
    18   1    -0.38   0.32  -0.04     0.08  -0.06   0.09     0.02  -0.01  -0.00
    19   1    -0.02  -0.34   0.06     0.01   0.06   0.05     0.00   0.02   0.00
    20   6     0.04   0.05   0.00    -0.04   0.06  -0.04    -0.00  -0.00  -0.00
    21   1     0.03   0.03  -0.11    -0.02  -0.14   0.21    -0.00  -0.00   0.01
    22   1    -0.05  -0.03  -0.01     0.26   0.05  -0.16     0.01  -0.00  -0.00
    23   6    -0.04  -0.05   0.00    -0.04   0.06   0.04     0.00   0.00  -0.00
    24   1     0.05   0.03  -0.01     0.26   0.05   0.16    -0.01   0.00  -0.00
    25   1    -0.03  -0.03  -0.11    -0.02  -0.14  -0.21     0.00   0.00   0.01
    26   6    -0.05  -0.12  -0.01    -0.01  -0.02   0.05     0.00   0.00  -0.00
    27   1     0.02   0.34   0.06     0.01   0.06  -0.05    -0.00  -0.02   0.00
    28   1     0.38  -0.32  -0.04     0.08  -0.06  -0.09    -0.02   0.01  -0.00
    29   6    -0.12  -0.04  -0.03     0.05  -0.09   0.07     0.00   0.00  -0.00
    30   1    -0.10   0.07   0.05     0.05  -0.07   0.08     0.00   0.00  -0.01
    31   6     0.02   0.01   0.10    -0.02  -0.02  -0.20     0.01  -0.00   0.00
    32   1    -0.02  -0.04   0.17    -0.05   0.13  -0.37    -0.08  -0.00   0.01
    33   6    -0.02  -0.01   0.05     0.00   0.01  -0.10     0.01   0.00   0.00
    34   6     0.00  -0.05  -0.01    -0.00   0.12   0.01    -0.07  -0.00   0.00
    35   1     0.03  -0.04  -0.04    -0.03   0.10   0.06     0.46   0.02  -0.03
    36   6    -0.00   0.00  -0.05     0.00  -0.00   0.09    -0.00   0.00   0.00
    37   1    -0.03   0.06  -0.01     0.02  -0.12   0.01    -0.12  -0.00   0.01
    38   6    -0.00   0.02  -0.05     0.00  -0.03   0.09     0.11   0.00  -0.01
    39   1    -0.03   0.00  -0.04     0.02  -0.00   0.07    -0.50  -0.03   0.04
                     37                     38                     39
                      B                      A                      A
 Frequencies --    828.3827               832.4511               852.6933
 Red. masses --      1.3278                 3.5105                 1.7863
 Frc consts  --      0.5369                 1.4333                 0.7652
 IR Inten    --      1.0153                34.8498                13.9749
 RamAct Fr= 1--      3.1261                15.5818                 8.5812
  Dep-P Fr= 1--      0.7500                 0.0787                 0.2175
  Dep-U Fr= 1--      0.8571                 0.1460                 0.3573
 Alpha2 Fr= 1--      0.0000                 0.2873                 0.1112
 Beta2  Fr= 1--      0.4466                 0.3791                 0.5111
 AlphaG Fr= 1--     -0.0000                 0.8310                 0.5638
 Gamma2 Fr= 1--     -5.2638                 0.4156                -2.8569
 Delta2 Fr= 1--     -0.5895                 0.9069                 0.3371
 Raman1 Fr= 1--      12.504                 62.327                 34.325
 ROA1   Fr= 1--    -524.187                 68.920               -263.474
 CID1   Fr= 1--     -41.920                  1.106                 -7.676
 Raman2 Fr= 1--       5.359                  4.549                  6.133
 ROA2   Fr= 1--    -121.614                  2.720                -71.262
 CID2   Fr= 1--     -22.693                  0.598                -11.620
 Raman3 Fr= 1--      10.718                  9.098                 12.265
 ROA3   Fr= 1--    -524.187                 68.920               -263.474
 CID3   Fr= 1--     -48.907                  7.576                -21.481
 RC180  Fr= 1--       0.714                 -0.708                 -0.285
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00  -0.00   0.00     0.00  -0.00   0.02     0.00  -0.00  -0.00
     2   7    -0.02  -0.00  -0.00    -0.00  -0.02  -0.03     0.00   0.01   0.00
     3   7    -0.01  -0.00  -0.00    -0.01   0.00  -0.07     0.01  -0.01   0.02
     4   7    -0.01  -0.00   0.00     0.01  -0.00  -0.07    -0.01   0.01   0.02
     5   7    -0.02  -0.00   0.00     0.00   0.02  -0.03    -0.00  -0.01   0.00
     6   6     0.08   0.00   0.00     0.01  -0.03  -0.08    -0.01   0.00   0.01
     7   1    -0.42  -0.02  -0.03    -0.02  -0.01  -0.06     0.04   0.00   0.01
     8   6     0.02   0.00   0.00     0.00  -0.00  -0.07     0.01  -0.00   0.01
     9   1    -0.23  -0.01  -0.01     0.00  -0.12   0.00    -0.03   0.02  -0.00
    10   6    -0.08  -0.00  -0.00    -0.01   0.11  -0.00    -0.00  -0.02  -0.00
    11   1     0.50   0.03   0.03     0.01   0.10  -0.02     0.02  -0.02   0.00
    12   6     0.01  -0.00   0.00     0.00   0.01   0.08    -0.01   0.00  -0.01
    13   6     0.01  -0.00   0.00    -0.01  -0.04   0.15     0.01  -0.00  -0.02
    14   1    -0.08   0.00  -0.00    -0.06   0.10   0.31    -0.02  -0.05  -0.07
    15   6     0.00  -0.00  -0.00     0.02  -0.05  -0.09    -0.04   0.05   0.01
    16   1     0.00   0.00   0.00     0.01  -0.07  -0.13    -0.03   0.09   0.01
    17   6     0.00  -0.00  -0.00    -0.02  -0.13  -0.04     0.05  -0.02  -0.07
    18   1    -0.00   0.00   0.00     0.26  -0.26  -0.12    -0.10   0.04  -0.20
    19   1     0.00  -0.00   0.00     0.03   0.15   0.05     0.02  -0.18  -0.28
    20   6    -0.00   0.00  -0.00    -0.08  -0.09   0.09     0.01  -0.08   0.11
    21   1    -0.00  -0.01   0.01    -0.07  -0.04   0.17    -0.02  -0.01  -0.28
    22   1     0.01   0.00  -0.00    -0.03  -0.12   0.05    -0.36  -0.20   0.19
    23   6    -0.00   0.00   0.00     0.08   0.09   0.09    -0.01   0.08   0.11
    24   1     0.01   0.00   0.00     0.03   0.12   0.05     0.36   0.20   0.19
    25   1    -0.00  -0.01  -0.01     0.07   0.04   0.17     0.02   0.01  -0.28
    26   6     0.00  -0.00   0.00     0.02   0.13  -0.04    -0.05   0.02  -0.07
    27   1     0.00  -0.00  -0.00    -0.03  -0.15   0.05    -0.02   0.18  -0.28
    28   1    -0.00   0.00  -0.00    -0.26   0.26  -0.12     0.10  -0.04  -0.20
    29   6     0.00  -0.00   0.00    -0.02   0.05  -0.09     0.04  -0.05   0.01
    30   1     0.00   0.00  -0.00    -0.01   0.07  -0.13     0.03  -0.09   0.01
    31   6     0.01  -0.00  -0.00     0.01   0.04   0.15    -0.01   0.00  -0.02
    32   1    -0.08   0.00   0.00     0.06  -0.10   0.31     0.02   0.05  -0.07
    33   6     0.01  -0.00  -0.00    -0.00  -0.01   0.08     0.01  -0.00  -0.01
    34   6    -0.08  -0.00   0.00     0.01  -0.11  -0.00     0.00   0.02  -0.00
    35   1     0.50   0.03  -0.03    -0.01  -0.10  -0.02    -0.02   0.02   0.00
    36   6     0.02   0.00  -0.00    -0.00   0.00  -0.07    -0.01   0.00   0.01
    37   1    -0.23  -0.01   0.01    -0.00   0.12   0.00     0.03  -0.02  -0.00
    38   6     0.08   0.00  -0.00    -0.01   0.03  -0.08     0.01  -0.00   0.01
    39   1    -0.42  -0.02   0.03     0.02   0.01  -0.06    -0.04  -0.00   0.01
                     40                     41                     42
                      A                      B                      B
 Frequencies --    859.3042               867.2933               882.5731
 Red. masses --      1.3650                 1.3610                 1.8945
 Frc consts  --      0.5938                 0.6032                 0.8695
 IR Inten    --      0.7634                 4.7569                 3.3158
 RamAct Fr= 1--      1.7267                 2.0783                 1.0694
  Dep-P Fr= 1--      0.5671                 0.7500                 0.7500
  Dep-U Fr= 1--      0.7238                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0060                 0.0000                 0.0000
 Beta2  Fr= 1--      0.2083                 0.2969                 0.1528
 AlphaG Fr= 1--      0.2445                -0.0000                -0.0000
 Gamma2 Fr= 1--      1.5737                 1.1717                 1.9634
 Delta2 Fr= 1--      0.1030                -0.0583                 2.0230
 Raman1 Fr= 1--       6.907                  8.313                  4.278
 ROA1   Fr= 1--     154.372                110.612                253.227
 CID1   Fr= 1--      22.351                 13.306                 59.199
 Raman2 Fr= 1--       2.499                  3.563                  1.833
 ROA2   Fr= 1--      36.945                 28.586                 30.938
 CID2   Fr= 1--      14.781                  8.024                 16.876
 Raman3 Fr= 1--       4.999                  7.126                  3.666
 ROA3   Fr= 1--     154.372                110.612                253.227
 CID3   Fr= 1--      30.881                 15.523                 69.066
 RC180  Fr= 1--       0.448                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   7    -0.01   0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.01
     3   7     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.01  -0.09
     4   7    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.01   0.09
     5   7     0.01  -0.00   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.01
     6   6     0.07   0.00   0.01    -0.09  -0.00  -0.00     0.00  -0.00  -0.03
     7   1    -0.39  -0.03  -0.03     0.51   0.02   0.03     0.00  -0.00  -0.03
     8   6    -0.08  -0.00  -0.00     0.08   0.00   0.00     0.00   0.01  -0.01
     9   1     0.43   0.03   0.02    -0.37  -0.02  -0.02    -0.01  -0.05   0.02
    10   6     0.06   0.00   0.00    -0.05  -0.00  -0.00    -0.00   0.04   0.01
    11   1    -0.38  -0.02  -0.02     0.29   0.01   0.02     0.01   0.04   0.02
    12   6    -0.01  -0.00  -0.00     0.01   0.00   0.00     0.00  -0.01   0.02
    13   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.01  -0.05   0.04
    14   1     0.03  -0.00  -0.00    -0.01  -0.00  -0.00     0.00   0.01   0.11
    15   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.05  -0.06
    16   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.15  -0.19
    17   6     0.00  -0.00  -0.01     0.00  -0.00  -0.00    -0.04  -0.02   0.04
    18   1    -0.00  -0.00  -0.02    -0.00   0.00   0.00     0.17  -0.12  -0.02
    19   1     0.00  -0.00  -0.01     0.00  -0.00   0.00    -0.01   0.19  -0.03
    20   6    -0.00  -0.01   0.01    -0.00   0.00  -0.00     0.06  -0.05   0.09
    21   1    -0.00  -0.00  -0.01    -0.00  -0.00   0.00     0.04   0.33  -0.16
    22   1    -0.02  -0.01   0.01     0.00   0.00  -0.00    -0.32  -0.04   0.25
    23   6     0.00   0.01   0.01    -0.00   0.00   0.00     0.06  -0.05  -0.09
    24   1     0.02   0.01   0.01     0.00   0.00   0.00    -0.32  -0.04  -0.25
    25   1     0.00   0.00  -0.01    -0.00  -0.00  -0.00     0.04   0.33   0.16
    26   6    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.04  -0.02  -0.04
    27   1    -0.00   0.00  -0.01     0.00  -0.00  -0.00    -0.01   0.19   0.03
    28   1     0.00   0.00  -0.02    -0.00   0.00  -0.00     0.17  -0.12   0.02
    29   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.05   0.06
    30   1     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.15   0.19
    31   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01  -0.05  -0.04
    32   1    -0.03   0.00  -0.00    -0.01  -0.00   0.00     0.00   0.01  -0.11
    33   6     0.01   0.00  -0.00     0.01   0.00  -0.00     0.00  -0.01  -0.02
    34   6    -0.06  -0.00   0.00    -0.05  -0.00   0.00    -0.00   0.04  -0.01
    35   1     0.38   0.02  -0.02     0.29   0.01  -0.02     0.01   0.04  -0.02
    36   6     0.08   0.00  -0.00     0.08   0.00  -0.00     0.00   0.01   0.01
    37   1    -0.43  -0.03   0.02    -0.37  -0.02   0.02    -0.01  -0.05  -0.02
    38   6    -0.07  -0.00   0.01    -0.09  -0.00   0.00     0.00  -0.00   0.03
    39   1     0.39   0.03  -0.03     0.51   0.02  -0.03     0.00  -0.00   0.03
                     43                     44                     45
                      A                      B                      A
 Frequencies --    898.9353               922.0811               923.8041
 Red. masses --      2.1004                 4.6200                 4.5902
 Frc consts  --      1.0000                 2.3144                 2.3080
 IR Inten    --      2.8552                 1.7102                 3.9066
 RamAct Fr= 1--      0.9803                35.2924                 3.4661
  Dep-P Fr= 1--      0.6709                 0.7500                 0.7384
  Dep-U Fr= 1--      0.8030                 0.8571                 0.8495
 Alpha2 Fr= 1--      0.0014                 0.0000                 0.0007
 Beta2  Fr= 1--      0.1312                 5.0418                 0.4908
 AlphaG Fr= 1--      0.1915                 0.0000                -0.0183
 Gamma2 Fr= 1--      3.3551                 0.1683                 2.9901
 Delta2 Fr= 1--      0.3204                -3.1417                 0.9869
 Raman1 Fr= 1--       3.921                141.170                 13.864
 ROA1   Fr= 1--     332.340                -84.380                318.627
 CID1   Fr= 1--      84.754                 -0.598                 22.982
 Raman2 Fr= 1--       1.574                 60.501                  5.889
 ROA2   Fr= 1--      77.958                 29.172                 63.866
 CID2   Fr= 1--      49.514                  0.482                 10.845
 Raman3 Fr= 1--       3.149                121.003                 11.778
 ROA3   Fr= 1--     332.340                -84.380                318.627
 CID3   Fr= 1--     105.541                 -0.697                 27.052
 RC180  Fr= 1--       0.606                  0.714                  0.699
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00  -0.00   0.01    -0.00   0.01   0.00     0.00  -0.00   0.01
     2   7     0.00  -0.00  -0.00     0.01  -0.02  -0.13     0.01  -0.02  -0.13
     3   7     0.01   0.00  -0.06    -0.00  -0.01  -0.00    -0.00  -0.01   0.00
     4   7    -0.01  -0.00  -0.06    -0.00  -0.01   0.00     0.00   0.01   0.00
     5   7    -0.00   0.00  -0.00     0.01  -0.02   0.13    -0.01   0.02  -0.13
     6   6    -0.00  -0.00  -0.02     0.00   0.14  -0.18     0.01   0.14  -0.18
     7   1     0.01   0.00  -0.01     0.02   0.04  -0.28     0.00   0.03  -0.29
     8   6    -0.00   0.00  -0.01    -0.02   0.13   0.18    -0.02   0.13   0.18
     9   1     0.02  -0.04   0.02    -0.02   0.02   0.25    -0.01   0.02   0.25
    10   6     0.00   0.04   0.01     0.00  -0.14   0.07     0.00  -0.14   0.07
    11   1    -0.03   0.04   0.01     0.02  -0.25  -0.32     0.02  -0.25  -0.32
    12   6    -0.02  -0.00   0.02     0.00  -0.11   0.02     0.00  -0.11   0.01
    13   6     0.04  -0.02   0.03     0.01  -0.01   0.05     0.01  -0.01   0.05
    14   1    -0.17   0.06   0.10    -0.06   0.05   0.13    -0.05   0.06   0.13
    15   6    -0.12  -0.02  -0.05    -0.00   0.00   0.00     0.00  -0.00  -0.00
    16   1    -0.10   0.09  -0.14    -0.01  -0.02   0.01     0.00  -0.00  -0.01
    17   6     0.02  -0.02   0.08     0.01   0.01   0.00    -0.00  -0.00  -0.00
    18   1    -0.01   0.00   0.42    -0.03   0.02   0.02     0.00  -0.00  -0.00
    19   1     0.01  -0.07  -0.19     0.00  -0.03   0.00     0.00   0.00   0.00
    20   6     0.10   0.07  -0.00    -0.00  -0.00  -0.01    -0.00  -0.00   0.00
    21   1     0.08   0.07  -0.27    -0.00  -0.04  -0.00    -0.00  -0.00   0.00
    22   1    -0.14   0.16   0.15     0.02   0.00  -0.01     0.00  -0.01  -0.00
    23   6    -0.10  -0.07  -0.00    -0.00  -0.00   0.01     0.00   0.00   0.00
    24   1     0.14  -0.16   0.15     0.02   0.00   0.01    -0.00   0.01  -0.00
    25   1    -0.08  -0.07  -0.27    -0.00  -0.04   0.00     0.00   0.00   0.00
    26   6    -0.02   0.02   0.08     0.01   0.01  -0.00     0.00   0.00  -0.00
    27   1    -0.01   0.07  -0.19     0.00  -0.03  -0.00    -0.00  -0.00   0.00
    28   1     0.01  -0.00   0.42    -0.03   0.02  -0.02    -0.00   0.00  -0.00
    29   6     0.12   0.02  -0.05    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    30   1     0.10  -0.09  -0.14    -0.01  -0.02  -0.01    -0.00   0.00  -0.01
    31   6    -0.04   0.02   0.03     0.01  -0.01  -0.05    -0.01   0.01   0.05
    32   1     0.17  -0.06   0.10    -0.06   0.05  -0.13     0.05  -0.06   0.13
    33   6     0.02   0.00   0.02     0.00  -0.11  -0.02    -0.00   0.11   0.01
    34   6    -0.00  -0.04   0.01     0.00  -0.14  -0.07    -0.00   0.14   0.07
    35   1     0.03  -0.04   0.01     0.02  -0.25   0.32    -0.02   0.25  -0.32
    36   6     0.00  -0.00  -0.01    -0.02   0.13  -0.18     0.02  -0.13   0.18
    37   1    -0.02   0.04   0.02    -0.02   0.02  -0.25     0.01  -0.02   0.25
    38   6     0.00   0.00  -0.02     0.00   0.14   0.18    -0.01  -0.14  -0.18
    39   1    -0.01  -0.00  -0.01     0.02   0.04   0.28    -0.00  -0.03  -0.29
                     46                     47                     48
                      B                      B                      A
 Frequencies --    943.0352               959.2096               960.7671
 Red. masses --      1.8257                 1.6034                 1.4773
 Frc consts  --      0.9566                 0.8692                 0.8034
 IR Inten    --      6.5759                11.6951                 4.8305
 RamAct Fr= 1--      0.3410                 0.5598                16.4445
  Dep-P Fr= 1--      0.7500                 0.7500                 0.3213
  Dep-U Fr= 1--      0.8571                 0.8571                 0.4864
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.1581
 Beta2  Fr= 1--      0.0487                 0.0800                 1.3330
 AlphaG Fr= 1--     -0.0000                -0.0000                -1.8163
 Gamma2 Fr= 1--     -0.1710                 3.6817               -23.1462
 Delta2 Fr= 1--     -0.4323                 0.9977                -0.7072
 Raman1 Fr= 1--       1.364                  2.239                 65.778
 ROA1   Fr= 1--     -30.248                385.368              -2244.666
 CID1   Fr= 1--     -22.175                172.089                -34.125
 Raman2 Fr= 1--       0.585                  0.960                 15.996
 ROA2   Fr= 1--      -0.645                 80.379               -549.852
 CID2   Fr= 1--      -1.104                 83.753                -34.375
 Raman3 Fr= 1--       1.169                  1.919                 31.992
 ROA3   Fr= 1--     -30.248                385.368              -2244.666
 CID3   Fr= 1--     -25.871                200.771                -70.164
 RC180  Fr= 1--       0.714                  0.714                 -0.027
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   7    -0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
     3   7    -0.01   0.01   0.08     0.03   0.01  -0.03     0.04   0.00   0.00
     4   7    -0.01   0.01  -0.08     0.03   0.01   0.03    -0.04  -0.00   0.00
     5   7    -0.00  -0.00   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
     6   6     0.00   0.00   0.01     0.01   0.00  -0.01     0.00   0.00  -0.00
     7   1    -0.02   0.00   0.00    -0.05   0.01   0.00    -0.04   0.00  -0.01
     8   6    -0.00   0.00   0.01     0.00  -0.00  -0.00     0.00   0.00   0.00
     9   1    -0.01   0.04  -0.02    -0.01  -0.04   0.02    -0.01  -0.02   0.01
    10   6    -0.00  -0.03  -0.01    -0.01   0.02   0.00    -0.01   0.00  -0.00
    11   1     0.02  -0.04  -0.05     0.05   0.02  -0.00     0.06  -0.00  -0.02
    12   6     0.01   0.00  -0.01     0.04  -0.00   0.01     0.04  -0.00   0.01
    13   6    -0.04   0.06  -0.01    -0.12  -0.01  -0.00    -0.13  -0.00  -0.01
    14   1     0.18   0.02  -0.04     0.60   0.02   0.09     0.67   0.00   0.07
    15   6     0.05  -0.05   0.01    -0.01  -0.01  -0.00    -0.02   0.00  -0.01
    16   1     0.07   0.15  -0.06    -0.03  -0.14  -0.01    -0.02   0.02  -0.08
    17   6    -0.11  -0.02   0.01     0.01   0.07   0.04    -0.01  -0.01   0.01
    18   1     0.27  -0.19   0.07    -0.14   0.14   0.08     0.02  -0.02   0.06
    19   1    -0.04   0.37   0.10    -0.01  -0.09   0.07    -0.00   0.02  -0.07
    20   6     0.04   0.00  -0.07     0.01  -0.04  -0.01     0.02   0.01   0.00
    21   1     0.05   0.25   0.07     0.01  -0.07  -0.06     0.02   0.01  -0.06
    22   1     0.00  -0.18  -0.16    -0.02  -0.10  -0.04    -0.04   0.03   0.04
    23   6     0.04   0.00   0.07     0.01  -0.04   0.01    -0.02  -0.01   0.00
    24   1     0.00  -0.18   0.16    -0.02  -0.10   0.04     0.04  -0.03   0.04
    25   1     0.05   0.25  -0.07     0.01  -0.07   0.06    -0.02  -0.01  -0.06
    26   6    -0.11  -0.02  -0.01     0.01   0.07  -0.04     0.01   0.01   0.01
    27   1    -0.04   0.37  -0.10    -0.01  -0.09  -0.07     0.00  -0.02  -0.07
    28   1     0.27  -0.19  -0.07    -0.14   0.14  -0.08    -0.02   0.02   0.06
    29   6     0.05  -0.05  -0.01    -0.01  -0.01   0.00     0.02  -0.00  -0.01
    30   1     0.07   0.15   0.06    -0.03  -0.14   0.01     0.02  -0.02  -0.08
    31   6    -0.04   0.06   0.01    -0.12  -0.01   0.00     0.13   0.00  -0.01
    32   1     0.18   0.02   0.04     0.60   0.02  -0.09    -0.67  -0.00   0.07
    33   6     0.01   0.00   0.01     0.04  -0.00  -0.01    -0.04   0.00   0.01
    34   6    -0.00  -0.03   0.01    -0.01   0.02  -0.00     0.01  -0.00  -0.00
    35   1     0.02  -0.04   0.05     0.05   0.02   0.00    -0.06   0.00  -0.02
    36   6    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
    37   1    -0.01   0.04   0.02    -0.01  -0.04  -0.02     0.01   0.02   0.01
    38   6     0.00   0.00  -0.01     0.01   0.00   0.01    -0.00  -0.00  -0.00
    39   1    -0.02   0.00  -0.00    -0.05   0.01  -0.00     0.04  -0.00  -0.01
                     49                     50                     51
                      B                      B                      A
 Frequencies --    962.9280              1007.2084              1012.3833
 Red. masses --      2.0879                 2.1310                 2.2758
 Frc consts  --      1.1406                 1.2737                 1.3743
 IR Inten    --      3.0803                16.1337                16.0644
 RamAct Fr= 1--     21.0682                16.1473               137.6990
  Dep-P Fr= 1--      0.7500                 0.7500                 0.1485
  Dep-U Fr= 1--      0.8571                 0.8571                 0.2587
 Alpha2 Fr= 1--      0.0000                 0.0000                 2.1366
 Beta2  Fr= 1--      3.0097                 2.3068                 5.9361
 AlphaG Fr= 1--     -0.0000                -0.0000                 2.8498
 Gamma2 Fr= 1--     25.0190                27.9176               -17.1999
 Delta2 Fr= 1--      4.8655                 8.0001               -16.6388
 Raman1 Fr= 1--      84.273                 64.589                550.796
 ROA1   Fr= 1--    2557.520               2936.090              -2183.632
 CID1   Fr= 1--      30.348                 45.458                 -3.965
 Raman2 Fr= 1--      36.117                 27.681                 71.233
 ROA2   Fr= 1--     561.533                606.021               -279.687
 CID2   Fr= 1--      15.548                 21.893                 -3.926
 Raman3 Fr= 1--      72.234                 55.362                142.466
 ROA3   Fr= 1--    2557.520               2936.090              -2183.632
 CID3   Fr= 1--      35.406                 53.034                -15.327
 RC180  Fr= 1--       0.714                  0.714                 -0.483
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00  -0.00  -0.00     0.00  -0.02   0.00    -0.00   0.00  -0.00
     2   7    -0.00  -0.01   0.01    -0.01   0.16  -0.01    -0.01   0.17  -0.01
     3   7    -0.02   0.00  -0.04    -0.00   0.01  -0.01    -0.00   0.01   0.00
     4   7    -0.02   0.00   0.04    -0.00   0.01   0.01     0.00  -0.01   0.00
     5   7    -0.00  -0.01  -0.01    -0.01   0.16   0.01     0.01  -0.17  -0.01
     6   6    -0.00  -0.00  -0.00    -0.00  -0.06   0.05    -0.00  -0.06   0.05
     7   1     0.03   0.02   0.01     0.03  -0.37  -0.24     0.05  -0.35  -0.23
     8   6    -0.00   0.00  -0.01     0.00   0.01   0.00     0.00  -0.00  -0.00
     9   1     0.01  -0.02   0.01    -0.01   0.38  -0.23    -0.01   0.40  -0.25
    10   6     0.01   0.02   0.01     0.01  -0.08  -0.03     0.01  -0.10  -0.04
    11   1    -0.04   0.03   0.04     0.01  -0.10  -0.07     0.01  -0.11  -0.06
    12   6    -0.02  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.01  -0.00
    13   6     0.07   0.00   0.00    -0.01  -0.02   0.06    -0.01  -0.01   0.07
    14   1    -0.39   0.05   0.02    -0.00   0.07   0.17    -0.01   0.07   0.17
    15   6     0.01  -0.04   0.01    -0.00   0.00  -0.02     0.00  -0.01  -0.03
    16   1     0.01  -0.08   0.03    -0.00  -0.00  -0.03     0.00  -0.00  -0.03
    17   6    -0.03   0.12   0.10     0.00   0.00   0.02     0.00  -0.01   0.00
    18   1    -0.12   0.17   0.21    -0.01   0.01   0.07     0.01  -0.02   0.04
    19   1    -0.04  -0.00   0.23     0.00  -0.02   0.02     0.00  -0.00   0.01
    20   6     0.04  -0.08  -0.07     0.00  -0.01  -0.00     0.00   0.00   0.01
    21   1     0.04   0.00  -0.08     0.00  -0.03  -0.02     0.00   0.01   0.01
    22   1    -0.04  -0.32  -0.18     0.00  -0.02  -0.01    -0.00   0.01   0.01
    23   6     0.04  -0.08   0.07     0.00  -0.01   0.00    -0.00  -0.00   0.01
    24   1    -0.04  -0.32   0.18     0.00  -0.02   0.01     0.00  -0.01   0.01
    25   1     0.04   0.00   0.08     0.00  -0.03   0.02    -0.00  -0.01   0.01
    26   6    -0.03   0.12  -0.10     0.00   0.00  -0.02    -0.00   0.01   0.00
    27   1    -0.04  -0.00  -0.23     0.00  -0.02  -0.02    -0.00   0.00   0.01
    28   1    -0.12   0.17  -0.21    -0.01   0.01  -0.07    -0.01   0.02   0.04
    29   6     0.01  -0.04  -0.01    -0.00   0.00   0.02    -0.00   0.01  -0.03
    30   1     0.01  -0.08  -0.03    -0.00  -0.00   0.03    -0.00   0.00  -0.03
    31   6     0.07   0.00  -0.00    -0.01  -0.02  -0.06     0.01   0.01   0.07
    32   1    -0.39   0.05  -0.02    -0.00   0.07  -0.17     0.01  -0.07   0.17
    33   6    -0.02  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.00
    34   6     0.01   0.02  -0.01     0.01  -0.08   0.03    -0.01   0.10  -0.04
    35   1    -0.04   0.03  -0.04     0.01  -0.10   0.07    -0.01   0.11  -0.06
    36   6    -0.00   0.00   0.01     0.00   0.01  -0.00    -0.00   0.00  -0.00
    37   1     0.01  -0.02  -0.01    -0.01   0.38   0.23     0.01  -0.40  -0.25
    38   6    -0.00  -0.00   0.00    -0.00  -0.06  -0.05     0.00   0.06   0.05
    39   1     0.03   0.02  -0.01     0.03  -0.37   0.24    -0.05   0.35  -0.23
                     52                     53                     54
                      B                      B                      A
 Frequencies --   1061.9465              1063.6222              1064.2156
 Red. masses --      1.4776                 1.5365                 1.3924
 Frc consts  --      0.9818                 1.0241                 0.9291
 IR Inten    --     47.5000                39.5892               146.9072
 RamAct Fr= 1--     85.9163                33.3416               169.7361
  Dep-P Fr= 1--      0.7500                 0.7500                 0.3476
  Dep-U Fr= 1--      0.8571                 0.8571                 0.5159
 Alpha2 Fr= 1--      0.0000                 0.0000                 1.5016
 Beta2  Fr= 1--     12.2738                 4.7631                14.5948
 AlphaG Fr= 1--     -0.0000                -0.0000                 4.1826
 Gamma2 Fr= 1--     67.6418                28.5958               -19.5575
 Delta2 Fr= 1--     25.1992                 3.6775               -27.0104
 Raman1 Fr= 1--     343.665                133.367                678.944
 ROA1   Fr= 1--    7299.993               2862.873              -2741.855
 CID1   Fr= 1--      21.242                 21.466                 -4.038
 Raman2 Fr= 1--     147.285                 57.157                175.138
 ROA2   Fr= 1--    1421.810                656.878               -253.298
 CID2   Fr= 1--       9.653                 11.493                 -1.446
 Raman3 Fr= 1--     294.570                114.314                350.275
 ROA3   Fr= 1--    7299.993               2862.873              -2741.855
 CID3   Fr= 1--      24.782                 25.044                 -7.828
 RC180  Fr= 1--       0.714                  0.714                  0.032
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     2   7     0.00  -0.05  -0.01    -0.00   0.04   0.01     0.00  -0.06  -0.01
     3   7     0.01  -0.01  -0.01     0.01   0.00  -0.01     0.00  -0.01  -0.01
     4   7     0.01  -0.01   0.01     0.01   0.00   0.01    -0.00   0.01  -0.01
     5   7     0.00  -0.05   0.01    -0.00   0.04  -0.01    -0.00   0.06  -0.01
     6   6     0.00   0.01  -0.03    -0.00   0.01   0.02     0.00   0.01  -0.04
     7   1    -0.01   0.05   0.01    -0.00   0.00   0.02    -0.00   0.04  -0.01
     8   6     0.00   0.03  -0.04     0.00  -0.04   0.03     0.00   0.05  -0.05
     9   1    -0.00   0.27  -0.18     0.00  -0.29   0.18    -0.00   0.37  -0.25
    10   6    -0.00  -0.02   0.06     0.00   0.02  -0.05    -0.00  -0.03   0.07
    11   1    -0.03   0.08   0.43     0.02  -0.05  -0.31    -0.03   0.09   0.52
    12   6     0.00  -0.01  -0.02    -0.00   0.00   0.01     0.00  -0.01  -0.02
    13   6    -0.01  -0.01   0.01     0.00  -0.02  -0.01    -0.00   0.00   0.01
    14   1     0.03   0.00   0.03     0.01  -0.04  -0.03     0.02   0.03   0.05
    15   6    -0.02   0.05   0.00    -0.03   0.06  -0.01     0.00   0.00   0.01
    16   1    -0.01   0.20  -0.10    -0.01   0.27  -0.08    -0.00  -0.00  -0.02
    17   6     0.00  -0.04   0.05     0.01  -0.05   0.06    -0.01   0.01   0.01
    18   1     0.05  -0.06   0.24     0.06  -0.07   0.31    -0.00   0.00   0.01
    19   1     0.01   0.01  -0.07     0.01   0.01  -0.06    -0.01   0.01  -0.01
    20   6     0.00   0.01  -0.05     0.00   0.01  -0.06     0.00  -0.01  -0.01
    21   1    -0.00  -0.20  -0.06    -0.00  -0.23  -0.07     0.00  -0.02  -0.03
    22   1     0.07   0.06  -0.05     0.08   0.06  -0.06    -0.01  -0.03  -0.01
    23   6     0.00   0.01   0.05     0.00   0.01   0.06    -0.00   0.01  -0.01
    24   1     0.07   0.06   0.05     0.08   0.06   0.06     0.01   0.03  -0.01
    25   1    -0.00  -0.20   0.06    -0.00  -0.23   0.07    -0.00   0.02  -0.03
    26   6     0.00  -0.04  -0.05     0.01  -0.05  -0.06     0.01  -0.01   0.01
    27   1     0.01   0.01   0.07     0.01   0.01   0.06     0.01  -0.01  -0.01
    28   1     0.05  -0.06  -0.24     0.06  -0.07  -0.31     0.00  -0.00   0.01
    29   6    -0.02   0.05  -0.00    -0.03   0.06   0.01    -0.00  -0.00   0.01
    30   1    -0.01   0.20   0.10    -0.01   0.27   0.08     0.00   0.00  -0.02
    31   6    -0.01  -0.01  -0.01     0.00  -0.02   0.01     0.00  -0.00   0.01
    32   1     0.03   0.00  -0.03     0.01  -0.04   0.03    -0.02  -0.03   0.05
    33   6     0.00  -0.01   0.02    -0.00   0.00  -0.01    -0.00   0.01  -0.02
    34   6    -0.00  -0.02  -0.06     0.00   0.02   0.05     0.00   0.03   0.07
    35   1    -0.03   0.08  -0.43     0.02  -0.05   0.31     0.03  -0.09   0.52
    36   6     0.00   0.03   0.04     0.00  -0.04  -0.03    -0.00  -0.05  -0.05
    37   1    -0.00   0.27   0.18     0.00  -0.29  -0.18     0.00  -0.37  -0.25
    38   6     0.00   0.01   0.03    -0.00   0.01  -0.02    -0.00  -0.01  -0.04
    39   1    -0.01   0.05  -0.01    -0.00   0.00  -0.02     0.00  -0.04  -0.01
                     55                     56                     57
                      A                      A                      B
 Frequencies --   1074.1941              1078.4917              1100.5498
 Red. masses --      4.0317                 1.7311                 1.9122
 Frc consts  --      2.7409                 1.1863                 1.3646
 IR Inten    --     12.6541                 0.6377                 5.8839
 RamAct Fr= 1--     21.7770                10.8672                12.5881
  Dep-P Fr= 1--      0.1962                 0.4366                 0.7500
  Dep-U Fr= 1--      0.3281                 0.6078                 0.8571
 Alpha2 Fr= 1--      0.2987                 0.0702                 0.0000
 Beta2  Fr= 1--      1.1907                 1.1009                 1.7983
 AlphaG Fr= 1--      0.0876                 0.1717                 0.0000
 Gamma2 Fr= 1--     21.5706                -0.2971                 4.3011
 Delta2 Fr= 1--     17.6670                -0.2075                -2.6982
 Raman1 Fr= 1--      87.108                 43.469                 50.353
 ROA1   Fr= 1--    2636.123                -35.162                326.561
 CID1   Fr= 1--      30.263                 -0.809                  6.486
 Raman2 Fr= 1--      14.289                 13.211                 21.580
 ROA2   Fr= 1--     376.358                 -5.471                124.811
 CID2   Fr= 1--      26.340                 -0.414                  5.784
 Raman3 Fr= 1--      28.577                 26.421                 43.159
 ROA3   Fr= 1--    2636.123                -35.162                326.561
 CID3   Fr= 1--      92.245                 -1.331                  7.566
 RC180  Fr= 1--      -0.344                  0.216                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00   0.00   0.01    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     2   7    -0.00   0.05   0.00     0.00  -0.01  -0.00    -0.00   0.05  -0.00
     3   7     0.04   0.02  -0.16     0.00   0.00   0.01     0.03   0.01  -0.07
     4   7    -0.04  -0.02  -0.16    -0.00  -0.00   0.01     0.03   0.01   0.07
     5   7     0.00  -0.05   0.00    -0.00   0.01  -0.00    -0.00   0.05   0.00
     6   6    -0.00   0.01  -0.00     0.00   0.00  -0.00    -0.00   0.04  -0.01
     7   1     0.01  -0.05  -0.06    -0.00   0.02   0.01    -0.01   0.09   0.04
     8   6     0.00  -0.01   0.01     0.00   0.00  -0.00     0.00  -0.04  -0.02
     9   1     0.01  -0.09   0.05     0.00   0.03  -0.02     0.01  -0.12   0.03
    10   6    -0.00   0.03  -0.00    -0.00  -0.01   0.01     0.00  -0.02   0.00
    11   1    -0.01   0.05   0.08    -0.00   0.00   0.05    -0.01   0.02   0.17
    12   6     0.00  -0.03  -0.01    -0.00   0.00  -0.00     0.00  -0.02  -0.01
    13   6     0.00  -0.12   0.01     0.00  -0.01   0.00    -0.00  -0.06   0.02
    14   1     0.01  -0.04   0.11     0.00  -0.04  -0.04     0.01  -0.00   0.09
    15   6    -0.02   0.22   0.12     0.02   0.05  -0.00    -0.03   0.08   0.08
    16   1     0.01   0.33   0.13     0.02   0.06   0.02    -0.05  -0.16   0.27
    17   6     0.01  -0.01   0.10     0.03  -0.06  -0.06    -0.00  -0.06   0.00
    18   1    -0.02   0.00  -0.28     0.04  -0.06  -0.26     0.05  -0.09  -0.20
    19   1     0.02   0.02   0.23     0.04  -0.01  -0.11     0.02   0.04   0.35
    20   6    -0.02  -0.08  -0.07    -0.00   0.14   0.05    -0.01   0.02  -0.06
    21   1    -0.01  -0.14  -0.04     0.01   0.24   0.21     0.02   0.23   0.19
    22   1     0.06   0.20   0.06     0.09   0.46   0.22     0.08  -0.08  -0.15
    23   6     0.02   0.08  -0.07     0.00  -0.14   0.05    -0.01   0.02   0.06
    24   1    -0.06  -0.20   0.06    -0.09  -0.46   0.22     0.08  -0.08   0.15
    25   1     0.01   0.14  -0.04    -0.01  -0.24   0.21     0.02   0.23  -0.19
    26   6    -0.01   0.01   0.10    -0.03   0.06  -0.06    -0.00  -0.06  -0.00
    27   1    -0.02  -0.02   0.23    -0.04   0.01  -0.11     0.02   0.04  -0.35
    28   1     0.02  -0.00  -0.28    -0.04   0.06  -0.26     0.05  -0.09   0.20
    29   6     0.02  -0.22   0.12    -0.02  -0.05  -0.00    -0.03   0.08  -0.08
    30   1    -0.01  -0.33   0.13    -0.02  -0.06   0.02    -0.05  -0.16  -0.27
    31   6    -0.00   0.12   0.01    -0.00   0.01   0.00    -0.00  -0.06  -0.02
    32   1    -0.01   0.04   0.11    -0.00   0.04  -0.04     0.01  -0.00  -0.09
    33   6    -0.00   0.03  -0.01     0.00  -0.00  -0.00     0.00  -0.02   0.01
    34   6     0.00  -0.03  -0.00     0.00   0.01   0.01     0.00  -0.02  -0.00
    35   1     0.01  -0.05   0.08     0.00  -0.00   0.05    -0.01   0.02  -0.17
    36   6    -0.00   0.01   0.01    -0.00  -0.00  -0.00     0.00  -0.04   0.02
    37   1    -0.01   0.09   0.05    -0.00  -0.03  -0.02     0.01  -0.12  -0.03
    38   6     0.00  -0.01  -0.00    -0.00  -0.00  -0.00    -0.00   0.04   0.01
    39   1    -0.01   0.05  -0.06     0.00  -0.02   0.01    -0.01   0.09  -0.04
                     58                     59                     60
                      B                      A                      A
 Frequencies --   1105.1744              1111.4035              1115.5841
 Red. masses --      2.4686                 2.2619                 2.7589
 Frc consts  --      1.7765                 1.6461                 2.0230
 IR Inten    --      1.6981                 2.1472                15.9117
 RamAct Fr= 1--     37.1303               283.8673                13.2354
  Dep-P Fr= 1--      0.7500                 0.1772                 0.3866
  Dep-U Fr= 1--      0.8571                 0.3010                 0.5577
 Alpha2 Fr= 1--      0.0000                 4.0926                 0.1028
 Beta2  Fr= 1--      5.3043                14.2428                 1.2301
 AlphaG Fr= 1--     -0.0000                 7.3763                -0.0708
 Gamma2 Fr= 1--    117.0212               -40.5436                 9.1612
 Delta2 Fr= 1--     39.0864               -26.4717                -4.5703
 Raman1 Fr= 1--     148.521               1135.469                 52.942
 ROA1   Fr= 1--   12484.798              -4739.283                733.222
 CID1   Fr= 1--      84.061                 -4.174                 13.850
 Raman2 Fr= 1--      63.652                170.914                 14.762
 ROA2   Fr= 1--    2495.816               -761.273                256.431
 CID2   Fr= 1--      39.210                 -4.454                 17.372
 Raman3 Fr= 1--     127.304                341.827                 29.523
 ROA3   Fr= 1--   12484.798              -4739.283                733.222
 CID3   Fr= 1--      98.071                -13.865                 24.836
 RC180  Fr= 1--       0.714                 -0.398                  0.115
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00  -0.01  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     2   7    -0.00   0.10  -0.01    -0.00   0.10  -0.00     0.00   0.00   0.00
     3   7    -0.02   0.00   0.04     0.00   0.01  -0.01     0.03   0.01  -0.10
     4   7    -0.02   0.00  -0.04    -0.00  -0.01  -0.01    -0.03  -0.01  -0.10
     5   7    -0.00   0.10   0.01     0.00  -0.10  -0.00    -0.00  -0.00   0.00
     6   6    -0.01   0.12  -0.00    -0.00   0.13  -0.01     0.00  -0.04  -0.00
     7   1    -0.03   0.38   0.23    -0.04   0.36   0.19     0.02  -0.17  -0.12
     8   6     0.01  -0.11  -0.06     0.01  -0.11  -0.06    -0.00   0.03   0.02
     9   1     0.01  -0.25   0.01     0.01  -0.32   0.06    -0.00   0.05   0.02
    10   6     0.01  -0.11  -0.00     0.00  -0.09  -0.00    -0.00   0.05   0.00
    11   1    -0.01  -0.04   0.29    -0.02  -0.01   0.33    -0.00   0.05  -0.02
    12   6     0.00  -0.00  -0.02     0.00  -0.02  -0.02     0.00  -0.03   0.00
    13   6    -0.00   0.01   0.04    -0.00  -0.02   0.04    -0.00  -0.06  -0.01
    14   1    -0.03   0.10   0.15    -0.01   0.10   0.18     0.03   0.04   0.10
    15   6     0.02  -0.05  -0.05    -0.01  -0.03   0.02    -0.06  -0.08   0.16
    16   1     0.03   0.04  -0.09    -0.01  -0.06   0.07    -0.07  -0.27   0.32
    17   6     0.00   0.03  -0.01     0.01   0.00  -0.03     0.01   0.03  -0.10
    18   1    -0.03   0.05   0.07    -0.01   0.01   0.06    -0.07   0.08   0.10
    19   1    -0.01  -0.02  -0.13     0.00  -0.02  -0.04    -0.01  -0.03  -0.23
    20   6     0.00  -0.01   0.04    -0.01   0.02   0.01    -0.03   0.07   0.03
    21   1    -0.01  -0.06  -0.07    -0.01   0.03   0.04    -0.02   0.10   0.13
    22   1    -0.05   0.02   0.07     0.01  -0.07  -0.05     0.04  -0.22  -0.17
    23   6     0.00  -0.01  -0.04     0.01  -0.02   0.01     0.03  -0.07   0.03
    24   1    -0.05   0.02  -0.07    -0.01   0.07  -0.05    -0.04   0.22  -0.17
    25   1    -0.01  -0.06   0.07     0.01  -0.03   0.04     0.02  -0.10   0.13
    26   6     0.00   0.03   0.01    -0.01  -0.00  -0.03    -0.01  -0.03  -0.10
    27   1    -0.01  -0.02   0.13    -0.00   0.02  -0.04     0.01   0.03  -0.23
    28   1    -0.03   0.05  -0.07     0.01  -0.01   0.06     0.07  -0.08   0.10
    29   6     0.02  -0.05   0.05     0.01   0.03   0.02     0.06   0.08   0.16
    30   1     0.03   0.04   0.09     0.01   0.06   0.07     0.07   0.27   0.32
    31   6    -0.00   0.01  -0.04     0.00   0.02   0.04     0.00   0.06  -0.01
    32   1    -0.03   0.10  -0.15     0.01  -0.10   0.18    -0.03  -0.04   0.10
    33   6     0.00  -0.00   0.02    -0.00   0.02  -0.02    -0.00   0.03   0.00
    34   6     0.01  -0.11   0.00    -0.00   0.09  -0.00     0.00  -0.05   0.00
    35   1    -0.01  -0.04  -0.29     0.02   0.01   0.33     0.00  -0.05  -0.02
    36   6     0.01  -0.11   0.06    -0.01   0.11  -0.06     0.00  -0.03   0.02
    37   1     0.01  -0.25  -0.01    -0.01   0.32   0.06     0.00  -0.05   0.02
    38   6    -0.01   0.12   0.00     0.00  -0.13  -0.01    -0.00   0.04  -0.00
    39   1    -0.03   0.38  -0.23     0.04  -0.36   0.19    -0.02   0.17  -0.12
                     61                     62                     63
                      A                      B                      A
 Frequencies --   1153.1932              1174.2867              1230.0317
 Red. masses --      2.4488                 2.0806                 1.4807
 Frc consts  --      1.9187                 1.6904                 1.3199
 IR Inten    --     11.1596                 1.8121                 3.7457
 RamAct Fr= 1--     36.5033                17.8830               145.7497
  Dep-P Fr= 1--      0.1801                 0.7500                 0.1316
  Dep-U Fr= 1--      0.3052                 0.8571                 0.2326
 Alpha2 Fr= 1--      0.5223                 0.0000                 2.3601
 Beta2  Fr= 1--      1.8569                 2.5547                 5.6495
 AlphaG Fr= 1--      4.3208                 0.0000                 5.3318
 Gamma2 Fr= 1--      8.0448                20.0841                 0.9490
 Delta2 Fr= 1--     -0.8282                 7.9235               -29.4905
 Raman1 Fr= 1--     146.013                 71.532                582.999
 ROA1   Fr= 1--     745.802               2181.628               -852.596
 CID1   Fr= 1--       5.108                 30.499                 -1.462
 Raman2 Fr= 1--      22.283                 30.657                 67.793
 ROA2   Fr= 1--     199.702                418.632                258.700
 CID2   Fr= 1--       8.962                 13.656                  3.816
 Raman3 Fr= 1--      44.565                 61.313                135.587
 ROA3   Fr= 1--     745.802               2181.628               -852.596
 CID3   Fr= 1--      16.735                 35.582                 -6.288
 RC180  Fr= 1--      -0.390                  0.714                 -0.535
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     2   7     0.00  -0.02  -0.01    -0.00   0.02   0.02    -0.00   0.01   0.04
     3   7     0.02   0.00   0.03     0.02   0.00  -0.06    -0.00  -0.02   0.02
     4   7    -0.02  -0.00   0.03     0.02   0.00   0.06     0.00   0.02   0.02
     5   7    -0.00   0.02  -0.01    -0.00   0.02  -0.02     0.00  -0.01   0.04
     6   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.01
     7   1    -0.01   0.02   0.02     0.01  -0.10  -0.10     0.02  -0.16  -0.16
     8   6     0.00   0.00   0.00    -0.00   0.01  -0.00    -0.00   0.02  -0.00
     9   1     0.00   0.06  -0.03     0.00  -0.11   0.07     0.00  -0.14   0.09
    10   6    -0.00  -0.00   0.00    -0.00   0.03  -0.01     0.00   0.02  -0.02
    11   1     0.00  -0.01  -0.01    -0.01   0.06   0.10    -0.01   0.06   0.14
    12   6    -0.00   0.01   0.01     0.00  -0.04  -0.01     0.00  -0.05  -0.02
    13   6    -0.00   0.01  -0.00    -0.00  -0.01  -0.02    -0.00   0.03  -0.02
    14   1     0.06  -0.04  -0.04    -0.00   0.17   0.19    -0.00   0.18   0.15
    15   6    -0.14   0.02  -0.08     0.03  -0.06   0.17    -0.05  -0.06  -0.01
    16   1    -0.12   0.10   0.09     0.06   0.15   0.18    -0.07  -0.24  -0.03
    17   6     0.14  -0.02   0.01    -0.06   0.03  -0.03     0.00   0.05   0.03
    18   1    -0.16   0.12   0.12     0.02  -0.00  -0.01    -0.08   0.08  -0.29
    19   1     0.10  -0.34   0.24    -0.06   0.14  -0.46    -0.02  -0.04  -0.03
    20   6    -0.13   0.01  -0.01     0.00   0.01   0.01    -0.02  -0.05  -0.01
    21   1    -0.10  -0.13   0.27    -0.01  -0.16  -0.13    -0.03  -0.11  -0.03
    22   1     0.18  -0.05  -0.16    -0.02   0.03   0.03     0.02   0.33   0.19
    23   6     0.13  -0.01  -0.01     0.00   0.01  -0.01     0.02   0.05  -0.01
    24   1    -0.18   0.05  -0.16    -0.02   0.03  -0.03    -0.02  -0.33   0.19
    25   1     0.10   0.13   0.27    -0.01  -0.16   0.13     0.03   0.11  -0.03
    26   6    -0.14   0.02   0.01    -0.06   0.03   0.03    -0.00  -0.05   0.03
    27   1    -0.10   0.34   0.24    -0.06   0.14   0.46     0.02   0.04  -0.03
    28   1     0.16  -0.12   0.12     0.02  -0.00   0.01     0.08  -0.08  -0.29
    29   6     0.14  -0.02  -0.08     0.03  -0.06  -0.17     0.05   0.06  -0.01
    30   1     0.12  -0.10   0.09     0.06   0.15  -0.18     0.07   0.24  -0.03
    31   6     0.00  -0.01  -0.00    -0.00  -0.01   0.02     0.00  -0.03  -0.02
    32   1    -0.06   0.04  -0.04    -0.00   0.17  -0.19     0.00  -0.18   0.15
    33   6     0.00  -0.01   0.01     0.00  -0.04   0.01    -0.00   0.05  -0.02
    34   6     0.00   0.00   0.00    -0.00   0.03   0.01    -0.00  -0.02  -0.02
    35   1    -0.00   0.01  -0.01    -0.01   0.06  -0.10     0.01  -0.06   0.14
    36   6    -0.00  -0.00   0.00    -0.00   0.01   0.00     0.00  -0.02  -0.00
    37   1    -0.00  -0.06  -0.03     0.00  -0.11  -0.07    -0.00   0.14   0.09
    38   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.01
    39   1     0.01  -0.02   0.02     0.01  -0.10   0.10    -0.02   0.16  -0.16
                     64                     65                     66
                      B                      A                      A
 Frequencies --   1231.3838              1241.1498              1269.4838
 Red. masses --      1.6074                 1.5040                 1.3489
 Frc consts  --      1.4360                 1.3651                 1.2808
 IR Inten    --      0.9850                 6.4924                58.7724
 RamAct Fr= 1--    113.7049                76.6808                53.6339
  Dep-P Fr= 1--      0.7500                 0.2023                 0.2225
  Dep-U Fr= 1--      0.8571                 0.3365                 0.3641
 Alpha2 Fr= 1--      0.0000                 1.0351                 0.6856
 Beta2  Fr= 1--     16.2436                 4.3002                 3.2544
 AlphaG Fr= 1--     -0.0000                 2.7053                 4.6382
 Gamma2 Fr= 1--     79.8583               -16.5843                 7.6659
 Delta2 Fr= 1--     22.0259                -1.4641                -5.6144
 Raman1 Fr= 1--     454.820                306.723                214.536
 ROA1   Fr= 1--    8371.222              -1638.943                556.269
 CID1   Fr= 1--      18.406                 -5.343                  2.593
 Raman2 Fr= 1--     194.923                 51.602                 39.053
 ROA2   Fr= 1--    1740.391               -386.310                228.898
 CID2   Fr= 1--       8.929                 -7.486                  5.861
 Raman3 Fr= 1--     389.845                103.204                 78.106
 ROA3   Fr= 1--    8371.222              -1638.943                556.269
 CID3   Fr= 1--      21.473                -15.881                  7.122
 RC180  Fr= 1--       0.714                 -0.327                 -0.272
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     2   7     0.01  -0.01  -0.08     0.00  -0.01  -0.06    -0.00   0.00   0.00
     3   7     0.01   0.02  -0.05     0.01   0.01  -0.04     0.01   0.01   0.01
     4   7     0.01   0.02   0.05    -0.01  -0.01  -0.04    -0.01  -0.01   0.01
     5   7     0.01  -0.01   0.08    -0.00   0.01  -0.06     0.00  -0.00   0.00
     6   6    -0.00  -0.02   0.02     0.00  -0.01   0.01    -0.00   0.01  -0.00
     7   1    -0.03   0.30   0.33    -0.03   0.27   0.28     0.01  -0.06  -0.07
     8   6     0.00  -0.04   0.01     0.00  -0.03   0.00     0.00   0.00  -0.01
     9   1    -0.00   0.28  -0.18    -0.00   0.22  -0.15     0.00  -0.02   0.01
    10   6    -0.00  -0.02   0.03    -0.00  -0.02   0.03    -0.00   0.00  -0.01
    11   1     0.02  -0.11  -0.28     0.02  -0.10  -0.25    -0.00   0.02   0.07
    12   6    -0.01   0.07   0.04    -0.00   0.06   0.03    -0.00  -0.02   0.02
    13   6    -0.00  -0.03   0.02    -0.00  -0.02   0.02    -0.00   0.00  -0.00
    14   1     0.01  -0.14  -0.10     0.01  -0.08  -0.05     0.02  -0.05  -0.06
    15   6     0.01  -0.02   0.04    -0.04  -0.04   0.01    -0.06  -0.00  -0.03
    16   1     0.02   0.05   0.16    -0.06  -0.25   0.09    -0.06  -0.09   0.24
    17   6    -0.02   0.01  -0.00    -0.01   0.04   0.01    -0.02  -0.01  -0.03
    18   1     0.01  -0.01   0.01    -0.04   0.05  -0.20     0.02  -0.03  -0.17
    19   1    -0.02   0.05  -0.11    -0.02   0.01   0.02     0.01   0.03   0.50
    20   6     0.00   0.00   0.00     0.00  -0.04  -0.01     0.09   0.00   0.01
    21   1    -0.00  -0.04  -0.03    -0.00  -0.05  -0.04     0.09   0.27  -0.03
    22   1    -0.01  -0.00   0.00    -0.01   0.19   0.13    -0.09  -0.13  -0.00
    23   6     0.00   0.00  -0.00    -0.00   0.04  -0.01    -0.09  -0.00   0.01
    24   1    -0.01  -0.00  -0.00     0.01  -0.19   0.13     0.09   0.13  -0.00
    25   1    -0.00  -0.04   0.03     0.00   0.05  -0.04    -0.09  -0.27  -0.03
    26   6    -0.02   0.01   0.00     0.01  -0.04   0.01     0.02   0.01  -0.03
    27   1    -0.02   0.05   0.11     0.02  -0.01   0.02    -0.01  -0.03   0.50
    28   1     0.01  -0.01  -0.01     0.04  -0.05  -0.20    -0.02   0.03  -0.17
    29   6     0.01  -0.02  -0.04     0.04   0.04   0.01     0.06   0.00  -0.03
    30   1     0.02   0.05  -0.16     0.06   0.25   0.09     0.06   0.09   0.24
    31   6    -0.00  -0.03  -0.02     0.00   0.02   0.02     0.00  -0.00  -0.00
    32   1     0.01  -0.14   0.10    -0.01   0.08  -0.05    -0.02   0.05  -0.06
    33   6    -0.01   0.07  -0.04     0.00  -0.06   0.03     0.00   0.02   0.02
    34   6    -0.00  -0.02  -0.03     0.00   0.02   0.03     0.00  -0.00  -0.01
    35   1     0.02  -0.11   0.28    -0.02   0.10  -0.25     0.00  -0.02   0.07
    36   6     0.00  -0.04  -0.01    -0.00   0.03   0.00    -0.00  -0.00  -0.01
    37   1    -0.00   0.28   0.18     0.00  -0.22  -0.15    -0.00   0.02   0.01
    38   6    -0.00  -0.02  -0.02    -0.00   0.01   0.01     0.00  -0.01  -0.00
    39   1    -0.03   0.30  -0.33     0.03  -0.27   0.28    -0.01   0.06  -0.07
                     67                     68                     69
                      B                      B                      A
 Frequencies --   1270.9014              1291.2566              1297.8477
 Red. masses --      1.2804                 1.5055                 1.5203
 Frc consts  --      1.2185                 1.4790                 1.5088
 IR Inten    --     24.1828                88.2474                63.4680
 RamAct Fr= 1--     19.0413               271.4346               486.0378
  Dep-P Fr= 1--      0.7500                 0.7500                 0.0932
  Dep-U Fr= 1--      0.8571                 0.8571                 0.1706
 Alpha2 Fr= 1--      0.0000                 0.0000                 8.6514
 Beta2  Fr= 1--      2.7202                38.7764                13.8176
 AlphaG Fr= 1--     -0.0000                 0.0000                11.5174
 Gamma2 Fr= 1--     68.1376               264.3539               -17.7265
 Delta2 Fr= 1--     15.0504                89.2711               -11.2354
 Raman1 Fr= 1--      76.165               1085.738               1944.151
 ROA1   Fr= 1--    7022.819              28234.649              -2061.278
 CID1   Fr= 1--      92.205                 26.005                 -1.060
 Raman2 Fr= 1--      32.642                465.316                165.811
 ROA2   Fr= 1--    1514.898               5630.325               -335.553
 CID2   Fr= 1--      46.409                 12.100                 -2.024
 Raman3 Fr= 1--      65.284                930.633                331.623
 ROA3   Fr= 1--    7022.819              28234.649              -2061.278
 CID3   Fr= 1--     107.573                 30.339                 -6.216
 RC180  Fr= 1--       0.714                  0.714                 -0.659
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     2   7     0.00  -0.00  -0.01     0.00  -0.01  -0.03     0.00  -0.02  -0.05
     3   7     0.02   0.01   0.01    -0.00  -0.07   0.01     0.00  -0.06   0.02
     4   7     0.02   0.01  -0.01    -0.00  -0.07  -0.01    -0.00   0.06   0.02
     5   7     0.00  -0.00   0.01     0.00  -0.01   0.03    -0.00   0.02  -0.05
     6   6    -0.00   0.01   0.01     0.00  -0.05   0.03    -0.00  -0.04   0.04
     7   1     0.00  -0.03  -0.02    -0.02   0.14   0.22    -0.02   0.13   0.21
     8   6    -0.00  -0.00   0.01    -0.00   0.01   0.04    -0.00   0.01   0.05
     9   1     0.00   0.02  -0.00    -0.00   0.04   0.03    -0.00   0.06   0.03
    10   6    -0.00   0.01  -0.01    -0.00   0.01  -0.00    -0.00   0.03  -0.02
    11   1    -0.00   0.03   0.05     0.01  -0.01  -0.11     0.00   0.02  -0.05
    12   6    -0.00  -0.01   0.01     0.00   0.03  -0.08     0.00   0.02  -0.08
    13   6     0.00  -0.01  -0.01     0.00   0.01  -0.02     0.00  -0.00  -0.02
    14   1     0.02   0.00   0.00    -0.03   0.40   0.43    -0.03   0.41   0.45
    15   6    -0.03  -0.02  -0.01    -0.01   0.02   0.02    -0.00   0.01   0.01
    16   1     0.03   0.35   0.21    -0.02   0.02  -0.17     0.01   0.11  -0.01
    17   6     0.05   0.01  -0.05     0.02  -0.01  -0.00     0.01  -0.01  -0.01
    18   1    -0.05   0.05   0.32    -0.02   0.01  -0.03     0.01  -0.01  -0.04
    19   1     0.04  -0.11  -0.04     0.02  -0.04   0.04     0.01  -0.01   0.12
    20   6    -0.04  -0.01   0.04    -0.01  -0.00  -0.01     0.02   0.01   0.00
    21   1    -0.03   0.27   0.22    -0.00   0.08   0.07     0.02   0.09   0.01
    22   1    -0.04  -0.24  -0.10     0.02  -0.02  -0.03    -0.01  -0.06  -0.03
    23   6    -0.04  -0.01  -0.04    -0.01  -0.00   0.01    -0.02  -0.01   0.00
    24   1    -0.04  -0.24   0.10     0.02  -0.02   0.03     0.01   0.06  -0.03
    25   1    -0.03   0.27  -0.22    -0.00   0.08  -0.07    -0.02  -0.09   0.01
    26   6     0.05   0.01   0.05     0.02  -0.01   0.00    -0.01   0.01  -0.01
    27   1     0.04  -0.11   0.04     0.02  -0.04  -0.04    -0.01   0.01   0.12
    28   1    -0.05   0.05  -0.32    -0.02   0.01   0.03    -0.01   0.01  -0.04
    29   6    -0.03  -0.02   0.01    -0.01   0.02  -0.02     0.00  -0.01   0.01
    30   1     0.03   0.35  -0.21    -0.02   0.02   0.17    -0.01  -0.11  -0.01
    31   6     0.00  -0.01   0.01     0.00   0.01   0.02    -0.00   0.00  -0.02
    32   1     0.02   0.00  -0.00    -0.03   0.40  -0.43     0.03  -0.41   0.45
    33   6    -0.00  -0.01  -0.01     0.00   0.03   0.08    -0.00  -0.02  -0.08
    34   6    -0.00   0.01   0.01    -0.00   0.01   0.00     0.00  -0.03  -0.02
    35   1    -0.00   0.03  -0.05     0.01  -0.01   0.11    -0.00  -0.02  -0.05
    36   6    -0.00  -0.00  -0.01    -0.00   0.01  -0.04     0.00  -0.01   0.05
    37   1     0.00   0.02   0.00    -0.00   0.04  -0.03     0.00  -0.06   0.03
    38   6    -0.00   0.01  -0.01     0.00  -0.05  -0.03     0.00   0.04   0.04
    39   1     0.00  -0.03   0.02    -0.02   0.14  -0.22     0.02  -0.13   0.21
                     70                     71                     72
                      B                      A                      B
 Frequencies --   1310.3522              1321.9010              1325.6541
 Red. masses --      2.0136                 4.0998                 1.6353
 Frc consts  --      2.0370                 4.2209                 1.6932
 IR Inten    --     19.9305               249.3073                 0.4718
 RamAct Fr= 1--     23.5695               356.5467                 8.7490
  Dep-P Fr= 1--      0.7500                 0.6100                 0.7500
  Dep-U Fr= 1--      0.8571                 0.7577                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.9188                 0.0000
 Beta2  Fr= 1--      3.3671                45.0285                 1.2499
 AlphaG Fr= 1--     -0.0000                 6.2378                -0.0000
 Gamma2 Fr= 1--     33.9764               -82.8069               123.3789
 Delta2 Fr= 1--      8.2246               -74.3988                35.7069
 Raman1 Fr= 1--      94.278               1426.187                 34.996
 ROA1   Fr= 1--    3524.921             -10330.226              12987.000
 CID1   Fr= 1--      37.389                 -7.243                371.101
 Raman2 Fr= 1--      40.405                540.342                 14.998
 ROA2   Fr= 1--     749.637              -1392.175               2675.439
 CID2   Fr= 1--      18.553                 -2.576                178.383
 Raman3 Fr= 1--      80.810               1080.684                 29.996
 ROA3   Fr= 1--    3524.921             -10330.226              12987.000
 CID3   Fr= 1--      43.620                 -9.559                432.951
 RC180  Fr= 1--       0.714                  0.515                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00   0.00   0.00    -0.00  -0.00  -0.01     0.00   0.00  -0.00
     2   7    -0.01  -0.01   0.10    -0.01  -0.04   0.20     0.00  -0.01  -0.07
     3   7    -0.01  -0.00  -0.02    -0.00  -0.03  -0.03    -0.01   0.00   0.03
     4   7    -0.01  -0.00   0.02     0.00   0.03  -0.03    -0.01   0.00  -0.03
     5   7    -0.01  -0.01  -0.10     0.01   0.04   0.20     0.00  -0.01   0.07
     6   6     0.00  -0.01  -0.06     0.01  -0.03  -0.12    -0.00   0.00   0.05
     7   1     0.00   0.02  -0.04     0.00   0.02  -0.08    -0.00  -0.01   0.05
     8   6     0.00   0.01  -0.03     0.00   0.03  -0.04    -0.00  -0.00   0.04
     9   1     0.00  -0.06   0.01     0.00  -0.12   0.04    -0.00   0.03   0.03
    10   6     0.00  -0.06   0.03     0.00  -0.11   0.05     0.00   0.03  -0.04
    11   1     0.02  -0.12  -0.16     0.02  -0.20  -0.25    -0.01   0.08   0.12
    12   6    -0.00   0.10  -0.05    -0.00   0.19  -0.12     0.00  -0.04  -0.00
    13   6    -0.00  -0.00   0.04    -0.01   0.01   0.06     0.00  -0.01  -0.01
    14   1    -0.00  -0.09  -0.06    -0.00   0.04   0.09    -0.01   0.04   0.05
    15   6     0.04   0.05   0.05    -0.04   0.03   0.04     0.05   0.06  -0.03
    16   1    -0.02  -0.35  -0.16    -0.08  -0.24  -0.31    -0.00  -0.41   0.23
    17   6     0.01  -0.02  -0.02     0.02  -0.01   0.01    -0.05  -0.01  -0.06
    18   1     0.03  -0.02   0.34    -0.03   0.01  -0.14     0.06  -0.06   0.42
    19   1     0.00  -0.01  -0.25     0.02  -0.02   0.08    -0.03   0.08   0.01
    20   6    -0.03   0.01   0.03     0.02   0.02  -0.00     0.01  -0.01   0.03
    21   1    -0.02   0.11   0.11     0.03   0.13   0.03    -0.00  -0.09  -0.08
    22   1    -0.03  -0.20  -0.09     0.00  -0.14  -0.09    -0.04   0.04   0.07
    23   6    -0.03   0.01  -0.03    -0.02  -0.02  -0.00     0.01  -0.01  -0.03
    24   1    -0.03  -0.20   0.09    -0.00   0.14  -0.09    -0.04   0.04  -0.07
    25   1    -0.02   0.11  -0.11    -0.03  -0.13   0.03    -0.00  -0.09   0.08
    26   6     0.01  -0.02   0.02    -0.02   0.01   0.01    -0.05  -0.01   0.06
    27   1     0.00  -0.01   0.25    -0.02   0.02   0.08    -0.03   0.08  -0.01
    28   1     0.03  -0.02  -0.34     0.03  -0.01  -0.14     0.06  -0.06  -0.42
    29   6     0.04   0.05  -0.05     0.04  -0.03   0.04     0.05   0.06   0.03
    30   1    -0.02  -0.35   0.16     0.08   0.24  -0.31    -0.00  -0.41  -0.23
    31   6    -0.00  -0.00  -0.04     0.01  -0.01   0.06     0.00  -0.01   0.01
    32   1    -0.00  -0.09   0.06     0.00  -0.04   0.09    -0.01   0.04  -0.05
    33   6    -0.00   0.10   0.05     0.00  -0.19  -0.12     0.00  -0.04   0.00
    34   6     0.00  -0.06  -0.03    -0.00   0.11   0.05     0.00   0.03   0.04
    35   1     0.02  -0.12   0.16    -0.02   0.20  -0.25    -0.01   0.08  -0.12
    36   6     0.00   0.01   0.03    -0.00  -0.03  -0.04    -0.00  -0.00  -0.04
    37   1     0.00  -0.06  -0.01    -0.00   0.12   0.04    -0.00   0.03  -0.03
    38   6     0.00  -0.01   0.06    -0.01   0.03  -0.12    -0.00   0.00  -0.05
    39   1     0.00   0.02   0.04    -0.00  -0.02  -0.08    -0.00  -0.01  -0.05
                     73                     74                     75
                      B                      A                      B
 Frequencies --   1336.0627              1344.5792              1358.8059
 Red. masses --      1.8797                 1.6247                 2.9826
 Frc consts  --      1.9770                 1.7306                 3.2446
 IR Inten    --      0.1302                23.1500                 2.2392
 RamAct Fr= 1--     24.9745               191.0569               114.0992
  Dep-P Fr= 1--      0.7500                 0.2181                 0.7500
  Dep-U Fr= 1--      0.8571                 0.3581                 0.8571
 Alpha2 Fr= 1--      0.0000                 2.4717                 0.0000
 Beta2  Fr= 1--      3.5678                11.4042                16.2999
 AlphaG Fr= 1--     -0.0000                11.1699                -0.0000
 Gamma2 Fr= 1--     14.5225               -29.5156               172.5158
 Delta2 Fr= 1--      1.9814               -33.0698                66.2546
 Raman1 Fr= 1--      99.898                764.228                456.397
 ROA1   Fr= 1--    1457.567              -3891.732              18681.663
 CID1   Fr= 1--      14.591                 -5.092                 40.933
 Raman2 Fr= 1--      42.813                136.851                195.599
 ROA2   Fr= 1--     332.690               -443.816               3610.341
 CID2   Fr= 1--       7.771                 -3.243                 18.458
 Raman3 Fr= 1--      85.627                273.701                391.197
 ROA3   Fr= 1--    1457.567              -3891.732              18681.663
 CID3   Fr= 1--      17.022                -14.219                 47.755
 RC180  Fr= 1--       0.714                 -0.284                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     2   7    -0.00  -0.05   0.07     0.00  -0.05   0.03    -0.01   0.08   0.04
     3   7     0.02   0.01  -0.01     0.01   0.02   0.00     0.01  -0.06   0.00
     4   7     0.02   0.01   0.01    -0.01  -0.02   0.00     0.01  -0.06  -0.00
     5   7    -0.00  -0.05  -0.07    -0.00   0.05   0.03    -0.01   0.08  -0.04
     6   6     0.00   0.00  -0.04    -0.00   0.01  -0.01     0.00  -0.04  -0.05
     7   1     0.00  -0.03  -0.06     0.00  -0.05  -0.06    -0.01   0.09   0.07
     8   6    -0.00   0.00   0.02    -0.00  -0.00   0.04     0.01   0.02  -0.12
     9   1     0.00  -0.01   0.03    -0.00  -0.00   0.04     0.01  -0.04  -0.10
    10   6     0.00  -0.04  -0.03     0.00  -0.03  -0.06    -0.01   0.02   0.16
    11   1     0.00  -0.04  -0.01    -0.00   0.01   0.08     0.02  -0.11  -0.29
    12   6    -0.00   0.11  -0.07    -0.00   0.08  -0.05    -0.00  -0.09   0.06
    13   6    -0.00  -0.03   0.03    -0.00  -0.03   0.03     0.00   0.05  -0.08
    14   1     0.01   0.04   0.11     0.01  -0.01   0.05     0.01   0.11  -0.02
    15   6    -0.02  -0.03  -0.03     0.02   0.00  -0.04    -0.01   0.01   0.03
    16   1     0.02   0.20   0.40     0.05   0.05   0.48    -0.01   0.06   0.01
    17   6    -0.03   0.01  -0.05    -0.04   0.01  -0.05    -0.01   0.00  -0.10
    18   1    -0.01   0.00   0.06     0.02  -0.01   0.30    -0.02   0.01   0.26
    19   1    -0.02   0.07   0.34    -0.03   0.06   0.05     0.01   0.04   0.40
    20   6     0.03  -0.01   0.01    -0.02  -0.03   0.01     0.02  -0.01   0.02
    21   1     0.02  -0.16  -0.17    -0.03  -0.20  -0.07     0.01  -0.08  -0.13
    22   1    -0.01   0.19   0.15    -0.03   0.22   0.17    -0.01   0.12   0.11
    23   6     0.03  -0.01  -0.01     0.02   0.03   0.01     0.02  -0.01  -0.02
    24   1    -0.01   0.19  -0.15     0.03  -0.22   0.17    -0.01   0.12  -0.11
    25   1     0.02  -0.16   0.17     0.03   0.20  -0.07     0.01  -0.08   0.13
    26   6    -0.03   0.01   0.05     0.04  -0.01  -0.05    -0.01   0.00   0.10
    27   1    -0.02   0.07  -0.34     0.03  -0.06   0.05     0.01   0.04  -0.40
    28   1    -0.01   0.00  -0.06    -0.02   0.01   0.30    -0.02   0.01  -0.26
    29   6    -0.02  -0.03   0.03    -0.02  -0.00  -0.04    -0.01   0.01  -0.03
    30   1     0.02   0.20  -0.40    -0.05  -0.05   0.48    -0.01   0.06  -0.01
    31   6    -0.00  -0.03  -0.03     0.00   0.03   0.03     0.00   0.05   0.08
    32   1     0.01   0.04  -0.11    -0.01   0.01   0.05     0.01   0.11   0.02
    33   6    -0.00   0.11   0.07     0.00  -0.08  -0.05    -0.00  -0.09  -0.06
    34   6     0.00  -0.04   0.03    -0.00   0.03  -0.06    -0.01   0.02  -0.16
    35   1     0.00  -0.04   0.01     0.00  -0.01   0.08     0.02  -0.11   0.29
    36   6    -0.00   0.00  -0.02     0.00   0.00   0.04     0.01   0.02   0.12
    37   1     0.00  -0.01  -0.03     0.00   0.00   0.04     0.01  -0.04   0.10
    38   6     0.00   0.00   0.04     0.00  -0.01  -0.01     0.00  -0.04   0.05
    39   1     0.00  -0.03   0.06    -0.00   0.05  -0.06    -0.01   0.09  -0.07
                     76                     77                     78
                      A                      A                      B
 Frequencies --   1362.1861              1375.4313              1378.1486
 Red. masses --      2.0568                 1.4293                 1.4166
 Frc consts  --      2.2486                 1.5931                 1.5853
 IR Inten    --      6.6568                15.2305                 1.9715
 RamAct Fr= 1--    252.5690                18.2751                 0.4803
  Dep-P Fr= 1--      0.5817                 0.7440                 0.7500
  Dep-U Fr= 1--      0.7355                 0.8532                 0.8571
 Alpha2 Fr= 1--      0.7964                 0.0019                 0.0000
 Beta2  Fr= 1--     30.9614                 2.5987                 0.0686
 AlphaG Fr= 1--      2.9252                 0.1213                 0.0000
 Gamma2 Fr= 1--     -5.7389               -19.3237                -1.2577
 Delta2 Fr= 1--    -49.2506                 2.2442                -0.6654
 Raman1 Fr= 1--    1010.276                 73.100                  1.921
 ROA1   Fr= 1--   -2126.959              -1783.265               -142.030
 CID1   Fr= 1--      -2.105                -24.395                -73.925
 Raman2 Fr= 1--     371.536                 31.184                  0.823
 ROA2   Fr= 1--     256.270               -481.724                -24.860
 CID2   Fr= 1--       0.690                -15.448                -30.192
 Raman3 Fr= 1--     743.073                 62.369                  1.647
 ROA3   Fr= 1--   -2126.959              -1783.265               -142.030
 CID3   Fr= 1--      -2.862                -28.592                -86.245
 RC180  Fr= 1--       0.471                  0.706                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   7    -0.00   0.05   0.05    -0.00   0.02   0.03    -0.00   0.00   0.01
     3   7     0.01  -0.03  -0.01     0.01  -0.02   0.01     0.00  -0.00  -0.00
     4   7    -0.01   0.03  -0.01    -0.01   0.02   0.01     0.00  -0.00   0.00
     5   7     0.00  -0.05   0.05     0.00  -0.02   0.03    -0.00   0.00  -0.01
     6   6     0.00  -0.03  -0.05     0.00  -0.01  -0.03     0.00   0.00  -0.01
     7   1    -0.01   0.06   0.03    -0.00   0.02   0.00     0.00  -0.00  -0.01
     8   6     0.00   0.01  -0.08     0.00   0.01  -0.04     0.00  -0.00  -0.01
     9   1     0.00  -0.02  -0.08     0.00  -0.01  -0.03     0.00   0.00  -0.01
    10   6    -0.01   0.01   0.12    -0.00   0.00   0.05    -0.00  -0.00   0.01
    11   1     0.02  -0.09  -0.23     0.01  -0.04  -0.10     0.00  -0.01  -0.03
    12   6    -0.00  -0.04   0.03    -0.00  -0.01   0.01    -0.00   0.00   0.00
    13   6     0.00   0.02  -0.06     0.00   0.01  -0.03     0.00   0.00  -0.01
    14   1     0.01   0.11   0.04     0.01   0.08   0.05     0.00   0.02   0.01
    15   6     0.01  -0.06   0.03     0.01   0.02  -0.05     0.01  -0.00  -0.01
    16   1     0.08   0.42   0.08     0.04   0.04   0.40     0.01  -0.04   0.10
    17   6    -0.01   0.02  -0.07    -0.00   0.01   0.06     0.00   0.03   0.02
    18   1    -0.00   0.02   0.11     0.05  -0.02   0.02    -0.03   0.04   0.10
    19   1    -0.00   0.00   0.27    -0.02  -0.04  -0.33    -0.01   0.00  -0.18
    20   6    -0.00   0.01   0.02     0.00  -0.06  -0.03    -0.02  -0.09  -0.09
    21   1    -0.02  -0.21  -0.12     0.03   0.37   0.20     0.01   0.31   0.24
    22   1    -0.01   0.14   0.11    -0.01  -0.03  -0.01     0.05   0.47   0.21
    23   6     0.00  -0.01   0.02    -0.00   0.06  -0.03    -0.02  -0.09   0.09
    24   1     0.01  -0.14   0.11     0.01   0.03  -0.01     0.05   0.47  -0.21
    25   1     0.02   0.21  -0.12    -0.03  -0.37   0.20     0.01   0.31  -0.24
    26   6     0.01  -0.02  -0.07     0.00  -0.01   0.06     0.00   0.03  -0.02
    27   1     0.00  -0.00   0.27     0.02   0.04  -0.33    -0.01   0.00   0.18
    28   1     0.00  -0.02   0.11    -0.05   0.02   0.02    -0.03   0.04  -0.10
    29   6    -0.01   0.06   0.03    -0.01  -0.02  -0.05     0.01  -0.00   0.01
    30   1    -0.08  -0.42   0.08    -0.04  -0.04   0.40     0.01  -0.04  -0.10
    31   6    -0.00  -0.02  -0.06    -0.00  -0.01  -0.03     0.00   0.00   0.01
    32   1    -0.01  -0.11   0.04    -0.01  -0.08   0.05     0.00   0.02  -0.01
    33   6     0.00   0.04   0.03     0.00   0.01   0.01    -0.00   0.00  -0.00
    34   6     0.01  -0.01   0.12     0.00  -0.00   0.05    -0.00  -0.00  -0.01
    35   1    -0.02   0.09  -0.23    -0.01   0.04  -0.10     0.00  -0.01   0.03
    36   6    -0.00  -0.01  -0.08    -0.00  -0.01  -0.04     0.00  -0.00   0.01
    37   1    -0.00   0.02  -0.08    -0.00   0.01  -0.03     0.00   0.00   0.01
    38   6    -0.00   0.03  -0.05    -0.00   0.01  -0.03     0.00   0.00   0.01
    39   1     0.01  -0.06   0.03     0.00  -0.02   0.00     0.00  -0.00   0.01
                     79                     80                     81
                      A                      A                      B
 Frequencies --   1385.5493              1392.5352              1395.9440
 Red. masses --      1.7653                 1.4643                 1.6757
 Frc consts  --      1.9968                 1.6730                 1.9239
 IR Inten    --     29.8732                25.7105                15.2586
 RamAct Fr= 1--    103.9488                60.5281                 4.5133
  Dep-P Fr= 1--      0.1561                 0.2196                 0.7500
  Dep-U Fr= 1--      0.2700                 0.3602                 0.8571
 Alpha2 Fr= 1--      1.5823                 0.7799                 0.0000
 Beta2  Fr= 1--      4.6778                 3.6333                 0.6448
 AlphaG Fr= 1--      2.8319                 4.8285                 0.0000
 Gamma2 Fr= 1--     22.4218                 4.4646               -11.6552
 Delta2 Fr= 1--    -12.7565               -10.6706                 4.2550
 Raman1 Fr= 1--     415.795                242.112                 18.053
 ROA1   Fr= 1--    1744.281                 87.144               -982.734
 CID1   Fr= 1--       4.195                  0.360                -54.436
 Raman2 Fr= 1--      56.134                 43.600                  7.737
 ROA2   Fr= 1--     640.174                192.515               -313.764
 CID2   Fr= 1--      11.404                  4.415                -40.554
 Raman3 Fr= 1--     112.267                 87.200                 15.474
 ROA3   Fr= 1--    1744.281                 87.144               -982.734
 CID3   Fr= 1--      15.537                  0.999                -63.509
 RC180  Fr= 1--      -0.460                 -0.280                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   7     0.00  -0.03   0.00     0.00   0.01  -0.01    -0.00   0.01   0.03
     3   7     0.00   0.03  -0.02    -0.01  -0.00   0.00     0.01  -0.02   0.02
     4   7    -0.00  -0.03  -0.02     0.01   0.00   0.00     0.01  -0.02  -0.02
     5   7    -0.00   0.03   0.00    -0.00  -0.01  -0.01    -0.00   0.01  -0.03
     6   6    -0.00   0.03   0.00     0.00  -0.01   0.01     0.00  -0.01  -0.03
     7   1     0.01  -0.04  -0.07    -0.00   0.02   0.04    -0.00   0.02   0.00
     8   6    -0.00  -0.03   0.03    -0.00   0.01  -0.01     0.00   0.01  -0.03
     9   1    -0.00   0.05  -0.01    -0.00  -0.03   0.02     0.00   0.00  -0.03
    10   6     0.00  -0.01  -0.05    -0.00   0.00   0.01    -0.00   0.01   0.05
    11   1    -0.00   0.02   0.06    -0.00   0.00   0.01     0.01  -0.04  -0.10
    12   6    -0.00   0.04   0.00     0.00  -0.02  -0.00    -0.00  -0.01   0.00
    13   6    -0.00  -0.02   0.03     0.00   0.00  -0.00     0.00  -0.00  -0.04
    14   1     0.00  -0.07  -0.03    -0.01  -0.03  -0.04     0.01   0.13   0.11
    15   6     0.00  -0.13   0.03     0.01   0.04   0.04     0.01   0.03  -0.11
    16   1     0.08   0.52  -0.15    -0.03  -0.18  -0.25     0.02  -0.07   0.50
    17   6     0.02   0.04   0.00     0.01   0.02  -0.07    -0.02  -0.01   0.08
    18   1     0.01   0.04  -0.14    -0.03   0.05   0.41     0.05  -0.05  -0.18
    19   1     0.00  -0.14   0.00     0.01  -0.02   0.14    -0.02  -0.00  -0.30
    20   6     0.01  -0.05  -0.01    -0.00  -0.10  -0.01    -0.00   0.03  -0.00
    21   1     0.03   0.31   0.10     0.01   0.32   0.16    -0.00  -0.07   0.05
    22   1     0.03   0.04   0.03    -0.02   0.19   0.17    -0.06  -0.17  -0.09
    23   6    -0.01   0.05  -0.01     0.00   0.10  -0.01    -0.00   0.03   0.00
    24   1    -0.03  -0.04   0.03     0.02  -0.19   0.17    -0.06  -0.17   0.09
    25   1    -0.03  -0.31   0.10    -0.01  -0.32   0.16    -0.00  -0.07  -0.05
    26   6    -0.02  -0.04   0.00    -0.01  -0.02  -0.07    -0.02  -0.01  -0.08
    27   1    -0.00   0.14   0.00    -0.01   0.02   0.14    -0.02  -0.00   0.30
    28   1    -0.01  -0.04  -0.14     0.03  -0.05   0.41     0.05  -0.05   0.18
    29   6    -0.00   0.13   0.03    -0.01  -0.04   0.04     0.01   0.03   0.11
    30   1    -0.08  -0.52  -0.15     0.03   0.18  -0.25     0.02  -0.07  -0.50
    31   6     0.00   0.02   0.03    -0.00  -0.00  -0.00     0.00  -0.00   0.04
    32   1    -0.00   0.07  -0.03     0.01   0.03  -0.04     0.01   0.13  -0.11
    33   6     0.00  -0.04   0.00    -0.00   0.02  -0.00    -0.00  -0.01  -0.00
    34   6    -0.00   0.01  -0.05     0.00  -0.00   0.01    -0.00   0.01  -0.05
    35   1     0.00  -0.02   0.06     0.00  -0.00   0.01     0.01  -0.04   0.10
    36   6     0.00   0.03   0.03     0.00  -0.01  -0.01     0.00   0.01   0.03
    37   1     0.00  -0.05  -0.01     0.00   0.03   0.02     0.00   0.00   0.03
    38   6     0.00  -0.03   0.00    -0.00   0.01   0.01     0.00  -0.01   0.03
    39   1    -0.01   0.04  -0.07     0.00  -0.02   0.04    -0.00   0.02  -0.00
                     82                     83                     84
                      B                      A                      A
 Frequencies --   1420.9502              1425.6335              1490.8993
 Red. masses --      2.8194                 2.7698                 1.0922
 Frc consts  --      3.3540                 3.3168                 1.4303
 IR Inten    --      0.3991                62.8892                 1.9131
 RamAct Fr= 1--     23.9776               279.5211                15.1006
  Dep-P Fr= 1--      0.7500                 0.6206                 0.4904
  Dep-U Fr= 1--      0.8571                 0.7659                 0.6581
 Alpha2 Fr= 1--      0.0000                 0.6615                 0.0779
 Beta2  Fr= 1--      3.4254                35.6794                 1.6563
 AlphaG Fr= 1--     -0.0000                 0.0935                -0.1157
 Gamma2 Fr= 1--     73.7350               -23.0407                -4.4830
 Delta2 Fr= 1--     25.1623               -13.2997                -2.4297
 Raman1 Fr= 1--      95.911               1118.085                 60.403
 ROA1   Fr= 1--    7883.756              -2637.498               -508.120
 CID1   Fr= 1--      82.199                 -2.359                 -8.412
 Raman2 Fr= 1--      41.105                428.153                 19.876
 ROA2   Fr= 1--    1568.341               -446.580                -88.155
 CID2   Fr= 1--      38.155                 -1.043                 -4.435
 Raman3 Fr= 1--      82.209                856.306                 39.752
 ROA3   Fr= 1--    7883.756              -2637.498               -508.120
 CID3   Fr= 1--      95.899                 -3.080                -12.782
 RC180  Fr= 1--       0.714                  0.532                  0.316
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     2   7     0.00   0.04  -0.05     0.00   0.04  -0.05    -0.00   0.00   0.00
     3   7     0.01   0.04  -0.01     0.01   0.04  -0.01    -0.00   0.00   0.00
     4   7     0.01   0.04   0.01    -0.01  -0.04  -0.01     0.00  -0.00   0.00
     5   7     0.00   0.04   0.05    -0.00  -0.04  -0.05     0.00  -0.00   0.00
     6   6     0.00  -0.14   0.04     0.00  -0.15   0.04     0.00  -0.00  -0.00
     7   1    -0.02   0.09   0.30    -0.02   0.11   0.30    -0.00   0.01   0.00
     8   6    -0.01   0.19  -0.05    -0.01   0.19  -0.04    -0.00  -0.00   0.00
     9   1    -0.00  -0.37   0.30    -0.00  -0.35   0.29    -0.00   0.01  -0.00
    10   6     0.00  -0.07   0.01     0.00  -0.07   0.00    -0.00   0.00   0.00
    11   1    -0.01  -0.03   0.18    -0.01  -0.02   0.18     0.00   0.00  -0.00
    12   6     0.00  -0.01  -0.06     0.00  -0.01  -0.05     0.00  -0.00  -0.00
    13   6    -0.01  -0.00   0.06    -0.01  -0.01   0.06     0.00  -0.00  -0.00
    14   1     0.02  -0.18  -0.14     0.02  -0.18  -0.13     0.00   0.00   0.00
    15   6    -0.00  -0.02  -0.01    -0.00  -0.04  -0.01    -0.00   0.02  -0.00
    16   1     0.01   0.04   0.08     0.02   0.12   0.07    -0.01  -0.06   0.01
    17   6    -0.00   0.01   0.01    -0.00   0.01   0.01    -0.02   0.03  -0.00
    18   1    -0.00   0.01  -0.02     0.02  -0.00  -0.07     0.31  -0.14   0.01
    19   1    -0.00  -0.00  -0.02    -0.01  -0.04  -0.03    -0.06  -0.32   0.02
    20   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.02  -0.01   0.04
    21   1     0.00   0.00   0.01     0.00   0.00  -0.01    -0.04   0.14  -0.34
    22   1    -0.00   0.02   0.01     0.01  -0.00  -0.01     0.35   0.05  -0.10
    23   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.02   0.01   0.04
    24   1    -0.00   0.02  -0.01    -0.01   0.00  -0.01    -0.35  -0.05  -0.10
    25   1     0.00   0.00  -0.01    -0.00  -0.00  -0.01     0.04  -0.14  -0.34
    26   6    -0.00   0.01  -0.01     0.00  -0.01   0.01     0.02  -0.03  -0.00
    27   1    -0.00  -0.00   0.02     0.01   0.04  -0.03     0.06   0.32   0.02
    28   1    -0.00   0.01   0.02    -0.02   0.00  -0.07    -0.31   0.14   0.01
    29   6    -0.00  -0.02   0.01     0.00   0.04  -0.01     0.00  -0.02  -0.00
    30   1     0.01   0.04  -0.08    -0.02  -0.12   0.07     0.01   0.06   0.01
    31   6    -0.01  -0.00  -0.06     0.01   0.01   0.06    -0.00   0.00  -0.00
    32   1     0.02  -0.18   0.14    -0.02   0.18  -0.13    -0.00  -0.00   0.00
    33   6     0.00  -0.01   0.06    -0.00   0.01  -0.05    -0.00   0.00  -0.00
    34   6     0.00  -0.07  -0.01    -0.00   0.07   0.00     0.00  -0.00   0.00
    35   1    -0.01  -0.03  -0.18     0.01   0.02   0.18    -0.00  -0.00  -0.00
    36   6    -0.01   0.19   0.05     0.01  -0.19  -0.04     0.00   0.00   0.00
    37   1    -0.00  -0.37  -0.30     0.00   0.35   0.29     0.00  -0.01  -0.00
    38   6     0.00  -0.14  -0.04    -0.00   0.15   0.04    -0.00   0.00  -0.00
    39   1    -0.02   0.09  -0.30     0.02  -0.11   0.30     0.00  -0.01   0.00
                     85                     86                     87
                      B                      B                      B
 Frequencies --   1491.7337              1496.8531              1497.6751
 Red. masses --      1.0900                 1.9319                 1.4913
 Frc consts  --      1.4291                 2.5503                 1.9708
 IR Inten    --      4.5796                48.3260                12.6973
 RamAct Fr= 1--     16.5987                 0.2824                 1.2023
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      2.3712                 0.0403                 0.1718
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--     -4.5059                -3.5793                10.8915
 Delta2 Fr= 1--     -0.8119                 0.1283                -0.7096
 Raman1 Fr= 1--      66.395                  1.129                  4.809
 ROA1   Fr= 1--    -458.544               -339.506               1022.875
 CID1   Fr= 1--      -6.906               -300.606                212.693
 Raman2 Fr= 1--      28.455                  0.484                  2.061
 ROA2   Fr= 1--    -101.646                -86.930                267.073
 CID2   Fr= 1--      -3.572               -179.595                129.580
 Raman3 Fr= 1--      56.910                  0.968                  4.122
 ROA3   Fr= 1--    -458.544               -339.506               1022.875
 CID3   Fr= 1--      -8.057               -350.707                248.141
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   7    -0.00   0.00   0.00     0.01  -0.05  -0.06    -0.00   0.04   0.04
     3   7     0.00   0.00   0.00     0.00  -0.04  -0.02    -0.00   0.02   0.01
     4   7     0.00   0.00  -0.00     0.00  -0.04   0.02    -0.00   0.02  -0.01
     5   7    -0.00   0.00  -0.00     0.01  -0.05   0.06    -0.00   0.04  -0.04
     6   6     0.00  -0.00  -0.00    -0.01   0.07   0.10     0.01  -0.05  -0.07
     7   1    -0.00   0.01   0.01     0.02  -0.22  -0.17    -0.01   0.16   0.12
     8   6    -0.00   0.00   0.00     0.00   0.02  -0.08    -0.00  -0.01   0.05
     9   1    -0.00   0.00  -0.00     0.01  -0.17   0.02    -0.00   0.12  -0.02
    10   6    -0.00   0.00   0.00    -0.00  -0.04   0.04     0.00   0.03  -0.03
    11   1     0.00   0.00  -0.00     0.01  -0.08  -0.05    -0.01   0.05   0.04
    12   6     0.00  -0.00  -0.00    -0.00   0.06   0.03     0.00  -0.04  -0.02
    13   6     0.00  -0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.01   0.00
    14   1    -0.00   0.00   0.00    -0.01   0.07   0.05    -0.00  -0.04  -0.04
    15   6     0.00   0.00  -0.01     0.00   0.01  -0.00     0.00  -0.01  -0.01
    16   1    -0.00  -0.01   0.04     0.00  -0.01   0.02     0.01  -0.01  -0.01
    17   6     0.00  -0.01   0.01     0.02  -0.05   0.00     0.03  -0.05   0.00
    18   1    -0.07   0.02  -0.00    -0.37   0.15   0.01    -0.41   0.17   0.00
    19   1     0.01   0.08  -0.05     0.07   0.41  -0.02     0.08   0.45  -0.02
    20   6    -0.03  -0.02   0.04     0.00   0.00  -0.00     0.01   0.00  -0.00
    21   1    -0.05   0.26  -0.41     0.01  -0.03   0.05     0.01  -0.04   0.08
    22   1     0.47   0.04  -0.15    -0.05  -0.03   0.01    -0.08  -0.02   0.02
    23   6    -0.03  -0.02  -0.04     0.00   0.00   0.00     0.01   0.00   0.00
    24   1     0.47   0.04   0.15    -0.05  -0.03  -0.01    -0.08  -0.02  -0.02
    25   1    -0.05   0.26   0.41     0.01  -0.03  -0.05     0.01  -0.04  -0.08
    26   6     0.00  -0.01  -0.01     0.02  -0.05  -0.00     0.03  -0.05  -0.00
    27   1     0.01   0.08   0.05     0.07   0.41   0.02     0.08   0.45   0.02
    28   1    -0.07   0.02   0.00    -0.37   0.15  -0.01    -0.41   0.17  -0.00
    29   6     0.00   0.00   0.01     0.00   0.01   0.00     0.00  -0.01   0.01
    30   1    -0.00  -0.01  -0.04     0.00  -0.01  -0.02     0.01  -0.01   0.01
    31   6     0.00  -0.00   0.00     0.00   0.01   0.00    -0.00  -0.01  -0.00
    32   1    -0.00   0.00  -0.00    -0.01   0.07  -0.05    -0.00  -0.04   0.04
    33   6     0.00  -0.00   0.00    -0.00   0.06  -0.03     0.00  -0.04   0.02
    34   6    -0.00   0.00  -0.00    -0.00  -0.04  -0.04     0.00   0.03   0.03
    35   1     0.00   0.00   0.00     0.01  -0.08   0.05    -0.01   0.05  -0.04
    36   6    -0.00   0.00  -0.00     0.00   0.02   0.08    -0.00  -0.01  -0.05
    37   1    -0.00   0.00   0.00     0.01  -0.17  -0.02    -0.00   0.12   0.02
    38   6     0.00  -0.00   0.00    -0.01   0.07  -0.10     0.01  -0.05   0.07
    39   1    -0.00   0.01  -0.01     0.02  -0.22   0.17    -0.01   0.16  -0.12
                     88                     89                     90
                      A                      A                      B
 Frequencies --   1501.7719              1507.0112              1562.8546
 Red. masses --      3.3694                 1.1184                 6.7983
 Frc consts  --      4.4773                 1.4965                 9.7833
 IR Inten    --      1.8163                 4.6227                 0.1602
 RamAct Fr= 1--      9.5794                 3.4412                 8.1097
  Dep-P Fr= 1--      0.5516                 0.4417                 0.7500
  Dep-U Fr= 1--      0.7110                 0.6128                 0.8571
 Alpha2 Fr= 1--      0.0363                 0.0218                 0.0000
 Beta2  Fr= 1--      1.1352                 0.3514                 1.1585
 AlphaG Fr= 1--     -0.1677                 0.1837                -0.0000
 Gamma2 Fr= 1--     -3.8025                 0.7380                24.3671
 Delta2 Fr= 1--      0.5899                 0.1853                 4.3355
 Raman1 Fr= 1--      38.318                 13.765                 32.439
 ROA1   Fr= 1--    -346.161                 76.775               2477.979
 CID1   Fr= 1--      -9.034                  5.578                 76.389
 Raman2 Fr= 1--      13.622                  4.217                 13.902
 ROA2   Fr= 1--     -95.978                 16.229                550.127
 CID2   Fr= 1--      -7.046                  3.848                 39.571
 Raman3 Fr= 1--      27.244                  8.434                 27.805
 ROA3   Fr= 1--    -346.161                 76.775               2477.979
 CID3   Fr= 1--     -12.706                  9.103                 89.121
 RC180  Fr= 1--       0.422                  0.226                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   7     0.01  -0.08  -0.11    -0.00   0.01   0.01    -0.00   0.02   0.02
     3   7     0.00  -0.05  -0.02     0.00   0.00   0.00     0.02  -0.20  -0.08
     4   7    -0.00   0.05  -0.02    -0.00  -0.00   0.00     0.02  -0.20   0.08
     5   7    -0.01   0.08  -0.11     0.00  -0.01   0.01    -0.00   0.02  -0.02
     6   6    -0.01   0.10   0.17     0.00  -0.01  -0.02     0.01  -0.07  -0.09
     7   1     0.04  -0.38  -0.28    -0.00   0.04   0.03    -0.01   0.13   0.10
     8   6     0.01   0.04  -0.13    -0.00  -0.00   0.01    -0.01   0.06   0.05
     9   1     0.01  -0.29   0.05    -0.00   0.02  -0.00    -0.00  -0.03   0.11
    10   6    -0.00  -0.06   0.07     0.00   0.00  -0.01     0.02  -0.11  -0.19
    11   1     0.01  -0.13  -0.08    -0.00   0.01   0.01    -0.02   0.02   0.39
    12   6    -0.01   0.11   0.04     0.00  -0.01  -0.00    -0.02   0.12   0.30
    13   6     0.00   0.01  -0.01     0.00   0.00   0.00     0.00   0.15  -0.07
    14   1    -0.01   0.11   0.10     0.00  -0.01  -0.01     0.01   0.17  -0.10
    15   6    -0.00   0.01   0.01     0.00  -0.01  -0.01    -0.01   0.04   0.01
    16   1     0.00   0.01   0.01     0.01   0.03   0.03    -0.00  -0.00   0.12
    17   6     0.00  -0.01  -0.00     0.02  -0.04   0.00    -0.00  -0.01   0.00
    18   1    -0.07   0.03   0.01    -0.34   0.14   0.01     0.02  -0.01   0.02
    19   1     0.01   0.08  -0.00     0.06   0.36  -0.02    -0.00  -0.01  -0.01
    20   6    -0.01  -0.01   0.01    -0.02  -0.02   0.03    -0.00   0.00  -0.00
    21   1    -0.01   0.06  -0.10    -0.03   0.18  -0.28    -0.00   0.01  -0.01
    22   1     0.11   0.01  -0.03     0.32   0.03  -0.08     0.01  -0.01  -0.01
    23   6     0.01   0.01   0.01     0.02   0.02   0.03    -0.00   0.00   0.00
    24   1    -0.11  -0.01  -0.03    -0.32  -0.03  -0.08     0.01  -0.01   0.01
    25   1     0.01  -0.06  -0.10     0.03  -0.18  -0.28    -0.00   0.01   0.01
    26   6    -0.00   0.01  -0.00    -0.02   0.04   0.00    -0.00  -0.01  -0.00
    27   1    -0.01  -0.08  -0.00    -0.06  -0.36  -0.02    -0.00  -0.01   0.01
    28   1     0.07  -0.03   0.01     0.34  -0.14   0.01     0.02  -0.01  -0.02
    29   6     0.00  -0.01   0.01    -0.00   0.01  -0.01    -0.01   0.04  -0.01
    30   1    -0.00  -0.01   0.01    -0.01  -0.03   0.03    -0.00  -0.00  -0.12
    31   6    -0.00  -0.01  -0.01    -0.00  -0.00   0.00     0.00   0.15   0.07
    32   1     0.01  -0.11   0.10    -0.00   0.01  -0.01     0.01   0.17   0.10
    33   6     0.01  -0.11   0.04    -0.00   0.01  -0.00    -0.02   0.12  -0.30
    34   6     0.00   0.06   0.07    -0.00  -0.00  -0.01     0.02  -0.11   0.19
    35   1    -0.01   0.13  -0.08     0.00  -0.01   0.01    -0.02   0.02  -0.39
    36   6    -0.01  -0.04  -0.13     0.00   0.00   0.01    -0.01   0.06  -0.05
    37   1    -0.01   0.29   0.05     0.00  -0.02  -0.00    -0.00  -0.03  -0.11
    38   6     0.01  -0.10   0.17    -0.00   0.01  -0.02     0.01  -0.07   0.09
    39   1    -0.04   0.38  -0.28     0.00  -0.04   0.03    -0.01   0.13  -0.10
                     91                     92                     93
                      A                      B                      A
 Frequencies --   1568.5481              1622.4296              1632.8679
 Red. masses --      6.9087                 5.8085                 6.2198
 Frc consts  --     10.0148                 9.0084                 9.7707
 IR Inten    --      4.2787               295.3518               648.8920
 RamAct Fr= 1--     53.5914              1446.7278              2243.8933
  Dep-P Fr= 1--      0.2066                 0.7500                 0.1333
  Dep-U Fr= 1--      0.3425                 0.8571                 0.2352
 Alpha2 Fr= 1--      0.7151                 0.0000                36.1830
 Beta2  Fr= 1--      3.0588               206.6754                87.9512
 AlphaG Fr= 1--      2.9764                -0.0000                69.5560
 Gamma2 Fr= 1--      0.1379               601.4660                -4.2800
 Delta2 Fr= 1--    -10.3851               138.2512              -129.0277
 Raman1 Fr= 1--     214.366               5786.911               8975.573
 ROA1   Fr= 1--    -319.083              62164.776              -4539.765
 CID1   Fr= 1--      -1.488                 10.742                 -0.506
 Raman2 Fr= 1--      36.706               2480.105               1055.415
 ROA2   Fr= 1--      86.391              13329.174                929.502
 CID2   Fr= 1--       2.354                  5.374                  0.881
 Raman3 Fr= 1--      73.412               4960.210               2110.830
 ROA3   Fr= 1--    -319.083              62164.776              -4539.765
 CID3   Fr= 1--      -4.346                 12.533                 -2.151
 RC180  Fr= 1--      -0.315                  0.714                 -0.530
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     2   7    -0.00   0.02   0.01     0.00   0.01  -0.00     0.00   0.00  -0.02
     3   7     0.01  -0.21  -0.09     0.03  -0.19  -0.10     0.03  -0.20  -0.11
     4   7    -0.01   0.21  -0.09     0.03  -0.19   0.10    -0.03   0.20  -0.11
     5   7     0.00  -0.02   0.01     0.00   0.01   0.00    -0.00  -0.00  -0.02
     6   6     0.01  -0.07  -0.09    -0.00   0.04   0.04    -0.00   0.04   0.05
     7   1    -0.01   0.14   0.11     0.00  -0.00  -0.00     0.00  -0.03  -0.01
     8   6    -0.01   0.06   0.05     0.00  -0.07   0.03     0.00  -0.06   0.03
     9   1    -0.00  -0.02   0.11    -0.00   0.07  -0.05     0.00   0.04  -0.04
    10   6     0.02  -0.11  -0.19    -0.00   0.06   0.01    -0.00   0.06   0.02
    11   1    -0.02   0.02   0.38     0.00   0.05  -0.09     0.00   0.04  -0.09
    12   6    -0.02   0.12   0.31     0.01  -0.10  -0.17     0.01  -0.09  -0.17
    13   6     0.00   0.15  -0.07    -0.02   0.26   0.21    -0.02   0.27   0.22
    14   1     0.01   0.18  -0.09     0.06  -0.26  -0.37     0.06  -0.26  -0.37
    15   6    -0.00   0.04   0.05    -0.02   0.02  -0.01    -0.01   0.00   0.02
    16   1     0.01   0.03   0.07     0.02   0.06   0.25     0.03   0.11   0.19
    17   6    -0.00  -0.00  -0.01    -0.00   0.00   0.01    -0.00  -0.00  -0.00
    18   1     0.03  -0.02   0.05     0.00  -0.00  -0.00    -0.00   0.00   0.03
    19   1    -0.01  -0.02   0.00    -0.00   0.00  -0.02    -0.00   0.01  -0.01
    20   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    21   1    -0.00  -0.00   0.01    -0.00   0.01  -0.01    -0.00   0.01  -0.00
    22   1    -0.00  -0.00  -0.00     0.01   0.00  -0.00     0.00   0.01   0.00
    23   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    24   1     0.00   0.00  -0.00     0.01   0.00   0.00    -0.00  -0.01   0.00
    25   1     0.00   0.00   0.01    -0.00   0.01   0.01     0.00  -0.01  -0.00
    26   6     0.00   0.00  -0.01    -0.00   0.00  -0.01     0.00   0.00  -0.00
    27   1     0.01   0.02   0.00    -0.00   0.00   0.02     0.00  -0.01  -0.01
    28   1    -0.03   0.02   0.05     0.00  -0.00   0.00     0.00  -0.00   0.03
    29   6     0.00  -0.04   0.05    -0.02   0.02   0.01     0.01  -0.00   0.02
    30   1    -0.01  -0.03   0.07     0.02   0.06  -0.25    -0.03  -0.11   0.19
    31   6    -0.00  -0.15  -0.07    -0.02   0.26  -0.21     0.02  -0.27   0.22
    32   1    -0.01  -0.18  -0.09     0.06  -0.26   0.37    -0.06   0.26  -0.37
    33   6     0.02  -0.12   0.31     0.01  -0.10   0.17    -0.01   0.09  -0.17
    34   6    -0.02   0.11  -0.19    -0.00   0.06  -0.01     0.00  -0.06   0.02
    35   1     0.02  -0.02   0.38     0.00   0.05   0.09    -0.00  -0.04  -0.09
    36   6     0.01  -0.06   0.05     0.00  -0.07  -0.03    -0.00   0.06   0.03
    37   1     0.00   0.02   0.11    -0.00   0.07   0.05    -0.00  -0.04  -0.04
    38   6    -0.01   0.07  -0.09    -0.00   0.04  -0.04     0.00  -0.04   0.05
    39   1     0.01  -0.14   0.11     0.00  -0.00   0.00    -0.00   0.03  -0.01
                     94                     95                     96
                      A                      B                      A
 Frequencies --   2956.7572              2971.1763              3015.1528
 Red. masses --      1.0786                 1.0841                 1.0717
 Frc consts  --      5.5559                 5.6385                 5.7404
 IR Inten    --     21.6305                29.6005                16.3199
 RamAct Fr= 1--    479.4688               209.9265               315.5480
  Dep-P Fr= 1--      0.1140                 0.7500                 0.0782
  Dep-U Fr= 1--      0.2047                 0.8571                 0.1451
 Alpha2 Fr= 1--      8.1098                 0.0000                 5.8254
 Beta2  Fr= 1--     16.3610                29.9895                 7.6294
 AlphaG Fr= 1--     28.7682                -0.0000                 0.2283
 Gamma2 Fr= 1--     33.1034               251.8978                 1.3704
 Delta2 Fr= 1--    -52.9468               118.8776                 6.0782
 Raman1 Fr= 1--    1917.875                839.706               1262.192
 ROA1   Fr= 1--    1483.625              27986.275                326.065
 CID1   Fr= 1--       0.774                 33.329                  0.258
 Raman2 Fr= 1--     196.332                359.874                 91.553
 ROA2   Fr= 1--    1218.055               5094.527                -15.735
 CID2   Fr= 1--       6.204                 14.156                 -0.172
 Raman3 Fr= 1--     392.665                719.748                183.106
 ROA3   Fr= 1--    1483.625              27986.275                326.065
 CID3   Fr= 1--       3.778                 38.883                  1.781
 RC180  Fr= 1--      -0.591                  0.714                 -0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     2   7     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     3   7    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     4   7     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   7    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    11   1     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    13   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    15   6    -0.06   0.01   0.00    -0.06   0.01   0.00    -0.00   0.00  -0.00
    16   1     0.70  -0.09  -0.03     0.69  -0.09  -0.03     0.02  -0.00  -0.00
    17   6     0.00   0.00   0.00     0.01  -0.00  -0.00     0.01  -0.00  -0.00
    18   1    -0.01  -0.02  -0.00     0.00  -0.01  -0.00    -0.01  -0.02   0.00
    19   1    -0.03   0.01   0.00    -0.12   0.01   0.01    -0.16   0.02   0.01
    20   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.05  -0.00   0.01
    21   1    -0.03  -0.00   0.00    -0.02  -0.00  -0.00     0.67  -0.02  -0.04
    22   1     0.00  -0.00   0.00     0.00  -0.00   0.01    -0.06   0.07  -0.11
    23   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.05   0.00   0.01
    24   1    -0.00   0.00   0.00     0.00  -0.00  -0.01     0.06  -0.07  -0.11
    25   1     0.03   0.00   0.00    -0.02  -0.00   0.00    -0.67   0.02  -0.04
    26   6    -0.00  -0.00   0.00     0.01  -0.00   0.00    -0.01   0.00  -0.00
    27   1     0.03  -0.01   0.00    -0.12   0.01  -0.01     0.16  -0.02   0.01
    28   1     0.01   0.02  -0.00     0.00  -0.01   0.00     0.01   0.02   0.00
    29   6     0.06  -0.01   0.00    -0.06   0.01  -0.00     0.00  -0.00  -0.00
    30   1    -0.70   0.09  -0.03     0.69  -0.09   0.03    -0.02   0.00  -0.00
    31   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    32   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    33   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    34   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    35   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    36   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    37   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    38   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    39   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
                     97                     98                     99
                      B                      A                      B
 Frequencies --   3021.3033              3026.4220              3027.7409
 Red. masses --      1.0658                 1.0612                 1.0600
 Frc consts  --      5.7321                 5.7265                 5.7253
 IR Inten    --     18.6678                 3.3636                46.5324
 RamAct Fr= 1--     32.4543                82.8201                 8.5509
  Dep-P Fr= 1--      0.7500                 0.1524                 0.7500
  Dep-U Fr= 1--      0.8571                 0.2645                 0.8571
 Alpha2 Fr= 1--      0.0000                 1.2725                 0.0000
 Beta2  Fr= 1--      4.6363                 3.6512                 1.2216
 AlphaG Fr= 1--     -0.0000                -1.4182                 0.0000
 Gamma2 Fr= 1--      3.6946                -9.3624                12.4449
 Delta2 Fr= 1--     16.2591               -16.0699                -7.0594
 Raman1 Fr= 1--     129.817                331.281                 34.204
 ROA1   Fr= 1--     874.972              -1413.027                968.809
 CID1   Fr= 1--       6.740                 -4.265                 28.325
 Raman2 Fr= 1--      55.636                 43.815                 14.659
 ROA2   Fr= 1--     -41.403                -96.139                355.152
 CID2   Fr= 1--      -0.744                 -2.194                 24.228
 Raman3 Fr= 1--     111.272                 87.629                 29.318
 ROA3   Fr= 1--     874.972              -1413.027                968.809
 CID3   Fr= 1--       7.863                -16.125                 33.045
 RC180  Fr= 1--       0.714                 -0.471                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   7    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   7    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     4   7    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     5   7    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     7   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     9   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    11   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    12   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1     0.00  -0.00   0.00     0.00   0.01  -0.01     0.00   0.01  -0.01
    15   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01   0.00   0.00
    16   1    -0.04   0.00   0.00     0.02  -0.01  -0.00     0.09  -0.01  -0.00
    17   6     0.03  -0.01  -0.00    -0.04   0.03   0.00    -0.03   0.03   0.00
    18   1     0.05   0.08   0.00    -0.16  -0.31   0.00    -0.16  -0.31   0.00
    19   1    -0.36   0.05   0.01     0.59  -0.07  -0.02     0.47  -0.06  -0.01
    20   6    -0.04  -0.01   0.02    -0.01  -0.00   0.01    -0.01  -0.01   0.02
    21   1     0.54  -0.02  -0.03     0.11  -0.01  -0.01     0.26  -0.01  -0.01
    22   1    -0.10   0.12  -0.20    -0.05   0.06  -0.10    -0.10   0.13  -0.22
    23   6    -0.04  -0.01  -0.02     0.01   0.00   0.01    -0.01  -0.01  -0.02
    24   1    -0.10   0.12   0.20     0.05  -0.06  -0.10    -0.10   0.13   0.22
    25   1     0.54  -0.02   0.03    -0.11   0.01  -0.01     0.26  -0.01   0.01
    26   6     0.03  -0.01   0.00     0.04  -0.03   0.00    -0.03   0.03  -0.00
    27   1    -0.36   0.05  -0.01    -0.59   0.07  -0.02     0.47  -0.06   0.01
    28   1     0.05   0.08  -0.00     0.16   0.31   0.00    -0.16  -0.31  -0.00
    29   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
    30   1    -0.04   0.00  -0.00    -0.02   0.01  -0.00     0.09  -0.01   0.00
    31   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    32   1     0.00  -0.00  -0.00    -0.00  -0.01  -0.01     0.00   0.01   0.01
    33   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    34   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    35   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    36   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    37   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    38   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    39   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
                    100                    101                    102
                      B                      A                      A
 Frequencies --   3067.5665              3068.6017              3070.6165
 Red. masses --      1.0966                 1.0907                 1.1018
 Frc consts  --      6.0799                 6.0512                 6.1207
 IR Inten    --     40.4624                65.1046                 0.0022
 RamAct Fr= 1--     78.2184               480.1648               104.4210
  Dep-P Fr= 1--      0.7500                 0.1972                 0.4681
  Dep-U Fr= 1--      0.8571                 0.3294                 0.6377
 Alpha2 Fr= 1--      0.0000                 6.5699                 0.5941
 Beta2  Fr= 1--     11.1741                26.3601                11.0983
 AlphaG Fr= 1--     -0.0000                 0.5978                -2.4962
 Gamma2 Fr= 1--    -78.0676                69.6924               -20.3887
 Delta2 Fr= 1--    -68.0638                38.4855                 3.6418
 Raman1 Fr= 1--     312.874               1920.659                417.684
 ROA1   Fr= 1--   -9672.529               7922.010              -1840.776
 CID1   Fr= 1--     -30.915                  4.125                 -4.407
 Raman2 Fr= 1--     134.089                316.321                133.180
 ROA2   Fr= 1--   -1329.112               1364.734               -518.463
 CID2   Fr= 1--      -9.912                  4.314                 -3.893
 Raman3 Fr= 1--     268.177                632.642                266.360
 ROA3   Fr= 1--   -9672.529               7922.010              -1840.776
 CID3   Fr= 1--     -36.068                 12.522                 -6.911
 RC180  Fr= 1--       0.714                 -0.341                  0.275
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     2   7     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   7     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4   7     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   7     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     9   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    10   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    11   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    14   1    -0.00  -0.02   0.02     0.00   0.01  -0.00    -0.00  -0.02   0.02
    15   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    16   1     0.03  -0.00  -0.00     0.00  -0.00   0.00     0.04  -0.01   0.00
    17   6    -0.03  -0.03   0.00     0.00   0.01   0.00    -0.05  -0.04   0.00
    18   1     0.20   0.43  -0.01    -0.06  -0.12   0.00     0.25   0.55  -0.01
    19   1     0.16  -0.03  -0.00     0.05  -0.00  -0.00     0.33  -0.05  -0.01
    20   6     0.03  -0.02   0.03    -0.03   0.03  -0.04    -0.01   0.00  -0.00
    21   1    -0.17  -0.00   0.02     0.13   0.00  -0.02     0.11  -0.00  -0.01
    22   1    -0.15   0.22  -0.37     0.23  -0.33   0.55     0.02  -0.04   0.06
    23   6     0.03  -0.02  -0.03     0.03  -0.03  -0.04     0.01  -0.00  -0.00
    24   1    -0.15   0.22   0.37    -0.23   0.33   0.55    -0.02   0.04   0.06
    25   1    -0.17  -0.00  -0.02    -0.13  -0.00  -0.02    -0.11   0.00  -0.01
    26   6    -0.03  -0.03  -0.00    -0.00  -0.01   0.00     0.05   0.04   0.00
    27   1     0.16  -0.03   0.00    -0.05   0.00  -0.00    -0.33   0.05  -0.01
    28   1     0.20   0.43   0.01     0.06   0.12   0.00    -0.25  -0.55  -0.01
    29   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    30   1     0.03  -0.00   0.00    -0.00   0.00   0.00    -0.04   0.01   0.00
    31   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    32   1    -0.00  -0.02  -0.02    -0.00  -0.01  -0.00     0.00   0.02   0.02
    33   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    34   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    35   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    36   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    37   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    38   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    39   1     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
                    103                    104                    105
                      B                      B                      A
 Frequencies --   3075.1796              3142.8526              3143.0744
 Red. masses --      1.1046                 1.0911                 1.0910
 Frc consts  --      6.1546                 6.3497                 6.3499
 IR Inten    --     62.4545                20.8138                14.0954
 RamAct Fr= 1--     77.4473               264.4988                29.8419
  Dep-P Fr= 1--      0.7500                 0.7500                 0.2575
  Dep-U Fr= 1--      0.8571                 0.8571                 0.4096
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.3463
 Beta2  Fr= 1--     11.0639                37.7855                 2.0370
 AlphaG Fr= 1--     -0.0000                -0.0000                -1.8873
 Gamma2 Fr= 1--     17.2302                -8.1195                57.1419
 Delta2 Fr= 1--     40.4238                -4.6841                -3.5120
 Raman1 Fr= 1--     309.789               1057.995                119.368
 ROA1   Fr= 1--    2947.658               -929.362               5373.236
 CID1   Fr= 1--       9.515                 -0.878                 45.014
 Raman2 Fr= 1--     132.767                453.427                 24.444
 ROA2   Fr= 1--      90.134               -157.395               1399.501
 CID2   Fr= 1--       0.679                 -0.347                 57.253
 Raman3 Fr= 1--     265.534                906.853                 48.888
 ROA3   Fr= 1--    2947.658               -929.362               5373.236
 CID3   Fr= 1--      11.101                 -1.025                109.908
 RC180  Fr= 1--       0.714                  0.714                 -0.181
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   7     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     3   7     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     4   7     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   7     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     8   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     9   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    10   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    11   1    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.01   0.00
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.05   0.04    -0.00  -0.05   0.04
    14   1    -0.00  -0.01   0.01     0.04   0.53  -0.46     0.04   0.53  -0.46
    15   6    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   1     0.06  -0.01  -0.00     0.01  -0.00  -0.00     0.01  -0.00  -0.00
    17   6    -0.04  -0.02   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    18   1     0.16   0.34  -0.00     0.01   0.03   0.00     0.01   0.03   0.00
    19   1     0.31  -0.05  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    20   6    -0.04   0.02  -0.02    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    21   1     0.32  -0.00  -0.03     0.00   0.00   0.00     0.00  -0.00  -0.00
    22   1     0.13  -0.19   0.31    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    23   6    -0.04   0.02   0.02    -0.00   0.00   0.00     0.00   0.00   0.00
    24   1     0.13  -0.19  -0.31    -0.00   0.00   0.00     0.00  -0.00  -0.00
    25   1     0.32  -0.00   0.03     0.00   0.00  -0.00    -0.00   0.00  -0.00
    26   6    -0.04  -0.02  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    27   1     0.31  -0.05   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    28   1     0.16   0.34   0.00     0.01   0.03  -0.00    -0.01  -0.03   0.00
    29   6    -0.01   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1     0.06  -0.01   0.00     0.01  -0.00   0.00    -0.01   0.00  -0.00
    31   6     0.00   0.00   0.00    -0.00  -0.05  -0.04     0.00   0.05   0.04
    32   1    -0.00  -0.01  -0.01     0.04   0.53   0.46    -0.04  -0.53  -0.46
    33   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    34   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    35   1    -0.00   0.00   0.00     0.00  -0.01  -0.00    -0.00   0.01   0.00
    36   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    37   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    38   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    39   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
                    106                    107                    108
                      B                      A                      B
 Frequencies --   3224.8771              3226.3475              3232.9339
 Red. masses --      1.0889                 1.0887                 1.0942
 Frc consts  --      6.6719                 6.6768                 6.7382
 IR Inten    --      0.3921                 0.9671                11.3604
 RamAct Fr= 1--    137.4880               112.8645                 2.1248
  Dep-P Fr= 1--      0.7500                 0.7432                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8527                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0131                 0.0000
 Beta2  Fr= 1--     19.6411                16.0390                 0.3035
 AlphaG Fr= 1--     -0.0000                 0.0064                 0.0000
 Gamma2 Fr= 1--     -7.5972                12.6564                25.1927
 Delta2 Fr= 1--     -5.5968                -5.8157                 2.0115
 Raman1 Fr= 1--     549.952                451.458                  8.499
 ROA1   Fr= 1--    -908.432               1028.908               2482.864
 CID1   Fr= 1--      -1.652                  2.279                292.134
 Raman2 Fr= 1--     235.694                192.468                  3.642
 ROA2   Fr= 1--    -137.559                350.278                588.532
 CID2   Fr= 1--      -0.584                  1.820                161.576
 Raman3 Fr= 1--     471.387                384.937                  7.285
 ROA3   Fr= 1--    -908.432               1028.908               2482.864
 CID3   Fr= 1--      -1.927                  2.673                340.823
 RC180  Fr= 1--       0.714                  0.705                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     2   7     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     3   7     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   7     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   7     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.03   0.03     0.00   0.02  -0.02    -0.00  -0.03   0.03
     7   1     0.01   0.31  -0.33    -0.00  -0.23   0.24     0.01   0.31  -0.33
     8   6     0.00  -0.02  -0.03    -0.00   0.02   0.03    -0.00   0.01   0.00
     9   1    -0.03   0.22   0.37     0.03  -0.24  -0.39     0.00  -0.04  -0.05
    10   6    -0.00   0.03  -0.01     0.00  -0.04   0.01     0.00  -0.05   0.01
    11   1     0.01  -0.32   0.09    -0.01   0.41  -0.11    -0.02   0.52  -0.14
    12   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    18   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    19   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    20   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    21   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    22   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    23   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    24   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    25   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    26   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    27   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    28   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    29   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    30   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    31   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    32   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    33   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    34   6    -0.00   0.03   0.01    -0.00   0.04   0.01     0.00  -0.05  -0.01
    35   1     0.01  -0.32  -0.09     0.01  -0.41  -0.11    -0.02   0.52   0.14
    36   6     0.00  -0.02   0.03     0.00  -0.02   0.03    -0.00   0.01  -0.00
    37   1    -0.03   0.22  -0.37    -0.03   0.24  -0.39     0.00  -0.04   0.05
    38   6    -0.00  -0.03  -0.03    -0.00  -0.02  -0.02    -0.00  -0.03  -0.03
    39   1     0.01   0.31   0.33     0.00   0.23   0.24     0.01   0.31   0.33
                    109                    110                    111
                      A                      B                      A
 Frequencies --   3235.1839              3248.9025              3249.9243
 Red. masses --      1.0938                 1.1034                 1.1032
 Frc consts  --      6.7449                 6.8622                 6.8651
 IR Inten    --      3.0187                 8.1071                15.1987
 RamAct Fr= 1--    132.3436                59.0042               461.2847
  Dep-P Fr= 1--      0.6681                 0.7500                 0.1144
  Dep-U Fr= 1--      0.8010                 0.8571                 0.2054
 Alpha2 Fr= 1--      0.1926                 0.0000                 7.7948
 Beta2  Fr= 1--     17.6682                 8.4292                15.7881
 AlphaG Fr= 1--     -0.3928                -0.0000                 1.6480
 Gamma2 Fr= 1--     -2.3564                24.8626               -28.5613
 Delta2 Fr= 1--      0.3815                26.7116               -19.6387
 Raman1 Fr= 1--     529.374                236.017               1845.139
 ROA1   Fr= 1--    -214.008               3241.584              -3370.325
 CID1   Fr= 1--      -0.404                 13.735                 -1.827
 Raman2 Fr= 1--     212.018                101.150                189.458
 ROA2   Fr= 1--     -59.606                383.011               -528.362
 CID2   Fr= 1--      -0.281                  3.787                 -2.789
 Raman3 Fr= 1--     424.036                202.300                378.915
 ROA3   Fr= 1--    -214.008               3241.584              -3370.325
 CID3   Fr= 1--      -0.505                 16.024                 -8.895
 RC180  Fr= 1--       0.602                  0.714                 -0.589
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  28     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   7     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   7    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   7     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.03   0.03     0.00   0.02  -0.02     0.00   0.02  -0.02
     7   1     0.01   0.35  -0.37    -0.00  -0.21   0.21    -0.00  -0.25   0.26
     8   6     0.00  -0.00  -0.01     0.00  -0.03  -0.04     0.00  -0.03  -0.04
     9   1    -0.01   0.04   0.07    -0.04   0.29   0.47    -0.04   0.27   0.45
    10   6     0.00  -0.04   0.01     0.00  -0.03   0.01     0.00  -0.03   0.01
    11   1    -0.01   0.47  -0.13    -0.01   0.31  -0.09    -0.01   0.28  -0.08
    12   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    16   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    19   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    20   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    21   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    22   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    23   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    24   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    25   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    26   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    27   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    28   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    29   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    30   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    31   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    32   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    33   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    34   6    -0.00   0.04   0.01     0.00  -0.03  -0.01    -0.00   0.03   0.01
    35   1     0.01  -0.47  -0.13    -0.01   0.31   0.09     0.01  -0.28  -0.08
    36   6    -0.00   0.00  -0.01     0.00  -0.03   0.04    -0.00   0.03  -0.04
    37   1     0.01  -0.04   0.07    -0.04   0.29  -0.47     0.04  -0.27   0.45
    38   6     0.00   0.03   0.03     0.00   0.02   0.02    -0.00  -0.02  -0.02
    39   1    -0.01  -0.35  -0.37    -0.00  -0.21  -0.21     0.00   0.25   0.26

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number 28 and mass  57.93535
 Atom     2 has atomic number  7 and mass  14.00307
 Atom     3 has atomic number  7 and mass  14.00307
 Atom     4 has atomic number  7 and mass  14.00307
 Atom     5 has atomic number  7 and mass  14.00307
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  6 and mass  12.00000
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  6 and mass  12.00000
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  6 and mass  12.00000
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  6 and mass  12.00000
 Atom    34 has atomic number  6 and mass  12.00000
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  6 and mass  12.00000
 Atom    37 has atomic number  1 and mass   1.00783
 Atom    38 has atomic number  6 and mass  12.00000
 Atom    39 has atomic number  1 and mass   1.00783
 Molecular mass:   324.08849 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  4818.025056447.50548**********
           X            0.00000  -0.03992   0.99920
           Y            0.00000   0.99920   0.03992
           Z            1.00000   0.00000   0.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  2.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.01798     0.01343     0.00777
 Rotational constants (GHZ):           0.37458     0.27991     0.16197
 Zero-point vibrational energy     839710.6 (Joules/Mol)
                                  200.69564 (Kcal/Mol)
 Warning -- explicit consideration of  27 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     70.44    80.29   101.27   140.62   179.83
          (Kelvin)            217.97   220.77   239.37   307.84   365.98
                              371.82   395.37   399.32   477.88   489.85
                              521.75   557.48   575.77   580.88   614.40
                              639.90   677.02   704.80   825.71   875.68
                              880.58   885.49   952.32   953.35  1002.63
                             1003.74  1062.03  1067.12  1128.36  1162.91
                             1181.85  1191.86  1197.71  1226.84  1236.35
                             1247.84  1269.83  1293.37  1326.67  1329.15
                             1356.82  1380.09  1382.33  1385.44  1449.15
                             1456.59  1527.90  1530.32  1531.17  1545.53
                             1551.71  1583.45  1590.10  1599.06  1605.08
                             1659.19  1689.54  1769.74  1771.69  1785.74
                             1826.50  1828.54  1857.83  1867.31  1885.30
                             1901.92  1907.32  1922.30  1934.55  1955.02
                             1959.88  1978.94  1982.85  1993.50  2003.55
                             2008.45  2044.43  2051.17  2145.07  2146.27
                             2153.64  2154.82  2160.71  2168.25  2248.60
                             2256.79  2334.31  2349.33  4254.11  4274.86
                             4338.13  4346.98  4354.35  4356.24  4413.54
                             4415.03  4417.93  4424.50  4521.86  4522.18
                             4639.88  4641.99  4651.47  4654.71  4674.45
                             4675.92
 
 Zero-point correction=                           0.319829 (Hartree/Particle)
 Thermal correction to Energy=                    0.336763
 Thermal correction to Enthalpy=                  0.337707
 Thermal correction to Gibbs Free Energy=         0.276126
 Sum of electronic and zero-point Energies=          -2348.073912
 Sum of electronic and thermal Energies=             -2348.056978
 Sum of electronic and thermal Enthalpies=           -2348.056034
 Sum of electronic and thermal Free Energies=        -2348.117615
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  211.322             69.676            129.608
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             43.223
 Rotational               0.889              2.981             32.826
 Vibrational            209.544             63.714             53.560
 Vibration     1          0.595              1.978              4.859
 Vibration     2          0.596              1.975              4.600
 Vibration     3          0.598              1.968              4.143
 Vibration     4          0.603              1.951              3.499
 Vibration     5          0.610              1.928              3.022
 Vibration     6          0.619              1.901              2.653
 Vibration     7          0.619              1.899              2.629
 Vibration     8          0.624              1.884              2.476
 Vibration     9          0.644              1.820              2.010
 Vibration    10          0.665              1.755              1.700
 Vibration    11          0.667              1.749              1.672
 Vibration    12          0.677              1.720              1.566
 Vibration    13          0.679              1.715              1.549
 Vibration    14          0.714              1.611              1.250
 Vibration    15          0.720              1.595              1.210
 Vibration    16          0.736              1.549              1.111
 Vibration    17          0.756              1.497              1.010
 Vibration    18          0.766              1.470              0.962
 Vibration    19          0.769              1.462              0.949
 Vibration    20          0.789              1.411              0.868
 Vibration    21          0.804              1.372              0.812
 Vibration    22          0.828              1.315              0.736
 Vibration    23          0.846              1.273              0.684
 Vibration    24          0.930              1.088              0.497
 Vibration    25          0.968              1.014              0.435
 Vibration    26          0.971              1.006              0.429
 Vibration    27          0.975              0.999              0.424
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.979586-127       -127.008958       -292.448932
 Total V=0       0.126467D+21         20.101978         46.286514
 Vib (Bot)       0.128281-141       -141.891838       -326.718032
 Vib (Bot)    1  0.422269D+01          0.625589          1.440473
 Vib (Bot)    2  0.370231D+01          0.568473          1.308958
 Vib (Bot)    3  0.293002D+01          0.466870          1.075008
 Vib (Bot)    4  0.210073D+01          0.322371          0.742287
 Vib (Bot)    5  0.163306D+01          0.213002          0.490454
 Vib (Bot)    6  0.133783D+01          0.126400          0.291046
 Vib (Bot)    7  0.132012D+01          0.120613          0.277723
 Vib (Bot)    8  0.121274D+01          0.083767          0.192881
 Vib (Bot)    9  0.926804D+00         -0.033012         -0.076014
 Vib (Bot)   10  0.765666D+00         -0.115961         -0.267009
 Vib (Bot)   11  0.752174D+00         -0.123682         -0.284788
 Vib (Bot)   12  0.701568D+00         -0.153931         -0.354438
 Vib (Bot)   13  0.693635D+00         -0.158869         -0.365810
 Vib (Bot)   14  0.561797D+00         -0.250421         -0.576615
 Vib (Bot)   15  0.545232D+00         -0.263418         -0.606543
 Vib (Bot)   16  0.504553D+00         -0.297093         -0.684082
 Vib (Bot)   17  0.464179D+00         -0.333314         -0.767485
 Vib (Bot)   18  0.445332D+00         -0.351316         -0.808935
 Vib (Bot)   19  0.440258D+00         -0.356293         -0.820394
 Vib (Bot)   20  0.408966D+00         -0.388313         -0.894123
 Vib (Bot)   21  0.387216D+00         -0.412046         -0.948772
 Vib (Bot)   22  0.358293D+00         -0.445762         -1.026404
 Vib (Bot)   23  0.338515D+00         -0.470423         -1.083188
 Vib (Bot)   24  0.267144D+00         -0.573255         -1.319968
 Vib (Bot)   25  0.243156D+00         -0.614115         -1.414051
 Vib (Bot)   26  0.240946D+00         -0.618079         -1.423180
 Vib (Bot)   27  0.238757D+00         -0.622044         -1.432310
 Vib (V=0)       0.165614D+06          5.219097         12.017414
 Vib (V=0)    1  0.475219D+01          0.676894          1.558606
 Vib (V=0)    2  0.423592D+01          0.626948          1.443601
 Vib (V=0)    3  0.347237D+01          0.540626          1.244838
 Vib (V=0)    4  0.265942D+01          0.424786          0.978107
 Vib (V=0)    5  0.220789D+01          0.343977          0.792036
 Vib (V=0)    6  0.192821D+01          0.285154          0.656591
 Vib (V=0)    7  0.191164D+01          0.281405          0.647959
 Vib (V=0)    8  0.181177D+01          0.258102          0.594303
 Vib (V=0)    9  0.155307D+01          0.191192          0.440236
 Vib (V=0)   10  0.141446D+01          0.150592          0.346751
 Vib (V=0)   11  0.140320D+01          0.147119          0.338753
 Vib (V=0)   12  0.136151D+01          0.134020          0.308593
 Vib (V=0)   13  0.135506D+01          0.131959          0.303846
 Vib (V=0)   14  0.125207D+01          0.097630          0.224802
 Vib (V=0)   15  0.123978D+01          0.093346          0.214936
 Vib (V=0)   16  0.121033D+01          0.082905          0.190896
 Vib (V=0)   17  0.118225D+01          0.072709          0.167418
 Vib (V=0)   18  0.116957D+01          0.068025          0.156634
 Vib (V=0)   19  0.116620D+01          0.066774          0.153754
 Vib (V=0)   20  0.114595D+01          0.059166          0.136235
 Vib (V=0)   21  0.113241D+01          0.054002          0.124344
 Vib (V=0)   22  0.111512D+01          0.047322          0.108963
 Vib (V=0)   23  0.110381D+01          0.042896          0.098772
 Vib (V=0)   24  0.106689D+01          0.028120          0.064749
 Vib (V=0)   25  0.105599D+01          0.023660          0.054479
 Vib (V=0)   26  0.105503D+01          0.023264          0.053567
 Vib (V=0)   27  0.105408D+01          0.022874          0.052668
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.229324D+09          8.360449         19.250646
 Rotational      0.332990D+07          6.522432         15.018454
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       28           0.000000000    0.000000000   -0.000036981
      2        7           0.000016409   -0.000025090    0.000012903
      3        7          -0.000008500   -0.000029420   -0.000010402
      4        7           0.000008500    0.000029420   -0.000010402
      5        7          -0.000016409    0.000025090    0.000012903
      6        6          -0.000012150    0.000002209    0.000004455
      7        1           0.000004897    0.000002317   -0.000007424
      8        6           0.000009887    0.000010029   -0.000012470
      9        1           0.000000486   -0.000001750   -0.000002677
     10        6          -0.000009307    0.000005928    0.000014783
     11        1           0.000000291   -0.000001907    0.000000838
     12        6           0.000001385   -0.000013547    0.000004025
     13        6           0.000010962    0.000024565    0.000010930
     14        1          -0.000000808   -0.000001909    0.000000997
     15        6          -0.000011474    0.000013314    0.000011659
     16        1           0.000011100   -0.000002914   -0.000000668
     17        6           0.000011525    0.000001691   -0.000002402
     18        1          -0.000002776   -0.000001846   -0.000000517
     19        1          -0.000003618    0.000002985   -0.000000029
     20        6          -0.000008927    0.000004225   -0.000005005
     21        1           0.000004332    0.000001488   -0.000000542
     22        1           0.000004963   -0.000002309    0.000000038
     23        6           0.000008927   -0.000004225   -0.000005005
     24        1          -0.000004963    0.000002309    0.000000038
     25        1          -0.000004332   -0.000001488   -0.000000542
     26        6          -0.000011525   -0.000001691   -0.000002402
     27        1           0.000003618   -0.000002985   -0.000000029
     28        1           0.000002776    0.000001846   -0.000000517
     29        6           0.000011474   -0.000013314    0.000011659
     30        1          -0.000011100    0.000002914   -0.000000668
     31        6          -0.000010962   -0.000024565    0.000010930
     32        1           0.000000808    0.000001909    0.000000997
     33        6          -0.000001385    0.000013547    0.000004025
     34        6           0.000009307   -0.000005928    0.000014783
     35        1          -0.000000291    0.000001907    0.000000838
     36        6          -0.000009887   -0.000010029   -0.000012470
     37        1          -0.000000486    0.000001750   -0.000002677
     38        6           0.000012150   -0.000002209    0.000004455
     39        1          -0.000004897   -0.000002317   -0.000007424
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000036981 RMS     0.000009903
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.148941D+03 -0.101532D+02  0.000000D+00
      2  -0.101532D+02  0.312159D+03  0.000000D+00
      3   0.000000D+00  0.000000D+00  0.383181D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.409997D+02 -0.125719D+03  0.000000D+00
      2   0.327257D+02  0.213265D+02  0.000000D+00
      3   0.000000D+00  0.000000D+00 -0.250267D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.000000D+00  0.000000D+00 -0.228802D+03
      2   0.000000D+00  0.000000D+00  0.258742D+03
      3   0.000000D+00  0.000000D+00 -0.299398D+02
      4   0.000000D+00  0.000000D+00 -0.652444D+02
      5  -0.721489D+02 -0.400309D+02  0.000000D+00
      6  -0.846867D+02  0.551167D+03  0.000000D+00
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   117 ND12= 1 LenFil=    4215:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.000000D+00  0.000000D+00 -0.106538D+01  0.000000D+00  0.000000D+00
      2   0.000000D+00  0.272052D-05 -0.442734D+00  0.000000D+00  0.000000D+00
      3  -0.106538D+01 -0.442734D+00  0.000000D+00  0.353642D+00 -0.939018D+00
                 6             7             8             9            10 
      1   0.353642D+00 -0.235558D+00  0.157124D+01  0.000000D+00  0.154771D+00
      2  -0.939018D+00  0.157124D+01 -0.143416D+02  0.000000D+00 -0.164677D+01
      3   0.000000D+00  0.000000D+00  0.000000D+00 -0.172309D+02  0.622823D+00
                11            12            13            14            15 
      1  -0.164677D+01  0.622823D+00  0.145435D+00  0.746199D+00  0.145407D+01
      2   0.129933D+01 -0.465765D+00  0.746199D+00 -0.934180D+01 -0.422378D+01
      3  -0.465765D+00 -0.147561D+01  0.145407D+01 -0.422378D+01 -0.166236D+02
                16            17            18            19            20 
      1  -0.613630D+00  0.355982D+00 -0.230195D+01  0.785979D+00 -0.328228D+01
      2   0.355982D+00 -0.199632D+02  0.388741D+01 -0.328228D+01  0.188173D+01
      3  -0.230195D+01  0.388741D+01  0.258998D+02 -0.248109D+01  0.541529D+00
                21            22            23            24            25 
      1  -0.248109D+01 -0.151564D+01  0.555155D+01  0.807875D+01 -0.502944D+00
      2   0.541529D+00  0.555155D+01 -0.445685D+02 -0.552985D+02  0.191771D+01
      3  -0.405294D+01  0.807875D+01 -0.552985D+02 -0.759609D+02  0.401293D+01
                26            27            28            29            30 
      1   0.191771D+01  0.401293D+01 -0.785979D+00  0.328228D+01 -0.248109D+01
      2  -0.109716D+00 -0.125971D+02  0.328228D+01 -0.188174D+01  0.541528D+00
      3  -0.125971D+02 -0.241822D+02 -0.248109D+01  0.541528D+00  0.405294D+01
                31            32            33            34            35 
      1   0.151564D+01 -0.555155D+01  0.807875D+01 -0.502944D+00  0.191771D+01
      2  -0.555155D+01  0.445685D+02 -0.552985D+02  0.191771D+01 -0.109716D+00
      3   0.807875D+01 -0.552985D+02  0.759609D+02 -0.401293D+01  0.125971D+02
                36            37            38            39            40 
      1  -0.401293D+01 -0.154771D+00  0.164677D+01  0.622822D+00 -0.145435D+00
      2   0.125971D+02  0.164677D+01 -0.129933D+01 -0.465765D+00 -0.746199D+00
      3  -0.241822D+02  0.622822D+00 -0.465765D+00  0.147561D+01  0.145407D+01
                41            42            43            44            45 
      1  -0.746199D+00  0.145407D+01 -0.613630D+00  0.355982D+00  0.230195D+01
      2   0.934180D+01 -0.422378D+01  0.355982D+00 -0.199632D+02 -0.388741D+01
      3  -0.422378D+01  0.166236D+02  0.230195D+01 -0.388741D+01  0.258998D+02
                46            47            48            49            50 
      1  -0.967665D+00  0.110770D+01  0.732590D+01 -0.396077D+01 -0.666953D+00
      2   0.110770D+01 -0.137066D+01  0.768531D+00 -0.666953D+00  0.163692D+02
      3   0.732590D+01  0.768531D+00  0.340148D+01  0.314522D+01 -0.361016D+01
                51            52            53            54            55 
      1   0.314522D+01  0.840143D+00 -0.320239D+00  0.196978D+01  0.148350D+00
      2  -0.361016D+01 -0.320239D+00  0.152567D+02 -0.378451D+01 -0.489039D+00
      3  -0.377630D+02  0.196978D+01 -0.378451D+01 -0.136316D+02 -0.859055D+00
                56            57            58            59            60 
      1  -0.489039D+00 -0.859055D+00 -0.219966D+00 -0.974087D-01  0.198213D+00
      2  -0.189676D+00 -0.173941D-01 -0.974087D-01 -0.202897D+01  0.155241D+01
      3  -0.173941D-01 -0.565764D+00  0.198213D+00  0.155241D+01 -0.252348D+01
                61            62            63            64            65 
      1   0.651537D+00  0.398396D-02 -0.453922D+00 -0.158424D+01  0.431850D+01
      2   0.398396D-02  0.170424D+01 -0.133232D+01  0.431850D+01  0.316472D+00
      3  -0.453922D+00 -0.133232D+01  0.761149D+01  0.625837D+01  0.297079D+00
                66            67            68            69            70 
      1   0.625837D+01  0.223167D+01 -0.176467D-01 -0.335429D+01  0.444308D+01
      2   0.297079D+00 -0.176467D-01 -0.945127D+01  0.130979D+02 -0.719983D-01
      3  -0.658811D-01 -0.335429D+01  0.130979D+02  0.437513D+02  0.229116D+01
                71            72            73            74            75 
      1  -0.719983D-01  0.229116D+01 -0.304543D-02 -0.283580D+00 -0.574018D+00
      2   0.156324D+02 -0.171334D+01 -0.283580D+00 -0.711301D+00 -0.869117D+00
      3  -0.171334D+01 -0.177139D+02 -0.574018D+00 -0.869117D+00 -0.127170D+01
                76            77            78            79            80 
      1   0.390613D+00 -0.492328D+00 -0.499022D+00  0.635394D+00 -0.645404D+00
      2  -0.492328D+00  0.461337D+01  0.441983D+01 -0.645404D+00  0.485064D+01
      3  -0.499022D+00  0.441983D+01  0.466479D+01 -0.107675D+01  0.669336D+01
                81            82            83            84            85 
      1  -0.107675D+01 -0.104477D+01  0.783746D+01  0.304955D+01  0.427524D+01
      2   0.669336D+01  0.783746D+01 -0.878539D-01 -0.137353D+01 -0.109696D+01
      3   0.116512D+02  0.304955D+01 -0.137353D+01 -0.345793D+01 -0.220877D+01
                86            87            88            89            90 
      1  -0.109696D+01 -0.220877D+01 -0.236605D+01 -0.930490D+00 -0.419818D+01
      2   0.150386D+02  0.170520D+02 -0.930490D+00  0.225459D+00  0.212739D+02
      3   0.170520D+02  0.251433D+02 -0.419818D+01  0.212739D+02  0.423264D+02
                91            92            93            94            95 
      1   0.986951D-01 -0.682285D+00 -0.458793D+00  0.661616D+00 -0.623651D+00
      2  -0.682285D+00 -0.526024D+00 -0.207017D+00 -0.623651D+00  0.146531D+02
      3  -0.458793D+00 -0.207017D+00 -0.106346D+00  0.110385D+00 -0.984959D-01
                96            97            98            99           100 
      1   0.110385D+00 -0.422126D-01  0.135646D-01 -0.152544D+00  0.722314D+00
      2  -0.984959D-01  0.135646D-01 -0.324744D+01  0.140017D+01  0.182935D+00
      3  -0.125666D+01 -0.152544D+00  0.140017D+01  0.973673D+00 -0.297164D+01
               101           102           103           104           105 
      1   0.182935D+00 -0.297164D+01 -0.205960D+01  0.172069D+01  0.169988D+01
      2   0.265031D+01  0.349270D+01  0.172069D+01 -0.154152D+02 -0.197416D+02
      3   0.349270D+01  0.556486D+01  0.169988D+01 -0.197416D+02 -0.141852D+02
               106           107           108           109           110 
      1  -0.327467D-02  0.266946D+01  0.434166D+01  0.333963D+00  0.173854D+01
      2   0.266946D+01 -0.247471D+02 -0.314033D+02  0.173854D+01 -0.260273D+01
      3   0.434166D+01 -0.314033D+02 -0.465305D+02 -0.307917D+01 -0.147723D+00
               111           112           113           114           115 
      1  -0.307917D+01  0.107040D+01 -0.484971D+01 -0.664625D+01 -0.244914D+01
      2  -0.147723D+00 -0.484971D+01  0.393956D+02  0.534934D+02 -0.110945D+01
      3   0.149321D+01 -0.664625D+01  0.534934D+02  0.730091D+02 -0.172736D+01
               116           117           118           119           120 
      1  -0.110945D+01 -0.172736D+01  0.125569D+00  0.830452D+00 -0.140751D+00
      2   0.158546D+02  0.183330D+02  0.830452D+00 -0.137950D+00 -0.105019D+01
      3   0.183330D+02  0.213091D+02 -0.140751D+00 -0.105019D+01 -0.150009D+01
               121           122           123           124           125 
      1   0.632282D+00  0.345653D+00 -0.112565D+00 -0.247904D+00 -0.303646D+00
      2   0.345653D+00  0.519550D+01 -0.453147D+01 -0.303646D+00 -0.178522D+01
      3  -0.112565D+00 -0.453147D+01  0.362448D+01 -0.232747D+00  0.539805D+01
               126           127           128           129           130 
      1  -0.232747D+00 -0.814037D+01  0.386238D+01  0.464364D+01  0.214235D+01
      2   0.539805D+01  0.386238D+01 -0.253703D-01 -0.734476D+01 -0.722204D+00
      3  -0.111499D+01  0.464364D+01 -0.734476D+01 -0.101879D+02 -0.243127D+01
               131           132           133           134           135 
      1  -0.722204D+00 -0.243127D+01  0.158936D+01 -0.285704D+01 -0.398164D+01
      2   0.737760D+01  0.520310D+01 -0.285704D+01  0.559958D+01  0.907191D+01
      3   0.520310D+01  0.460165D+01 -0.398164D+01  0.907191D+01  0.246542D+02
               136           137           138           139           140 
      1   0.773413D+01 -0.228412D+01 -0.567082D+01 -0.688866D+00  0.119698D+01
      2  -0.228412D+01  0.176766D+01  0.544214D+01  0.119698D+01 -0.268294D+01
      3  -0.567082D+01  0.544214D+01  0.119258D+02  0.307434D+00 -0.135931D+01
               141           142           143           144           145 
      1   0.307434D+00 -0.345193D+00  0.467298D+00  0.185590D+01  0.622777D+01
      2  -0.135931D+01  0.467298D+00 -0.580853D+00 -0.160631D+01 -0.219278D+01
      3  -0.295749D+00  0.185590D+01 -0.160631D+01 -0.639842D+01 -0.214683D-01
               146           147           148           149           150 
      1  -0.219278D+01 -0.214683D-01 -0.137120D+01 -0.241442D+01  0.202049D+00
      2  -0.338742D+01  0.155502D+01 -0.241442D+01 -0.295977D+01  0.852518D+00
      3   0.155502D+01 -0.245810D+01  0.202049D+00  0.852518D+00  0.763377D+01
               151           152           153           154           155 
      1  -0.287509D+00  0.216839D+00 -0.108835D+01  0.663558D+00  0.183770D+01
      2   0.216839D+00  0.544646D+00  0.305288D+01  0.183770D+01  0.258962D+01
      3  -0.108835D+01  0.305288D+01 -0.503010D+01 -0.555660D+00 -0.855221D+00
               156           157           158           159           160 
      1  -0.555660D+00  0.120359D+01  0.180990D+01 -0.327174D+00 -0.111692D+00
      2  -0.855221D+00  0.180990D+01  0.800124D+01 -0.232829D+01 -0.158166D+00
      3   0.212116D+01 -0.327174D+00 -0.232829D+01  0.236351D+01  0.790697D+00
               161           162           163           164           165 
      1  -0.158166D+00  0.790697D+00 -0.662942D+01  0.183002D+01 -0.135780D+01
      2  -0.524983D+00  0.160487D+01  0.183002D+01 -0.145088D+01  0.503597D+00
      3   0.160487D+01 -0.269992D+00 -0.135780D+01  0.503597D+00 -0.300927D+01
               166           167           168           169           170 
      1   0.830912D+00 -0.996789D+00  0.387368D+00 -0.186264D-01 -0.375354D-01
      2  -0.996789D+00  0.140250D+01 -0.574607D+00 -0.375354D-01 -0.677663D-01
      3   0.387368D+00 -0.574607D+00 -0.880880D+00 -0.111066D+01  0.257768D+00
               171           172           173           174           175 
      1  -0.111066D+01 -0.712912D+01 -0.417736D+00  0.194535D+01  0.204829D+00
      2   0.257768D+00 -0.417736D+00  0.239705D+01 -0.885118D+00  0.179308D+01
      3   0.457996D+00  0.194535D+01 -0.885118D+00  0.478912D+01 -0.618790D+00
               176           177           178           179           180 
      1   0.179308D+01 -0.618790D+00  0.680756D+00 -0.277152D+00  0.256758D+01
      2   0.155103D+01  0.752480D+00 -0.277152D+00  0.981690D+00 -0.647758D+01
      3   0.752480D+00 -0.873716D+01  0.256758D+01 -0.647758D+01  0.333442D+01
               181           182           183           184           185 
      1   0.800170D+01  0.897262D+00 -0.308408D+01 -0.870945D-01  0.850410D+00
      2   0.897262D+00  0.133151D+01 -0.207835D+00  0.850410D+00 -0.205575D+00
      3  -0.308408D+01 -0.207835D+00  0.312364D+01 -0.426377D-01 -0.587976D+00
               186           187           188           189           190 
      1  -0.426377D-01 -0.778372D+00 -0.548480D-01  0.138255D+01 -0.250919D+00
      2  -0.587976D+00 -0.548480D-01 -0.150087D+00  0.849036D+00  0.819211D+00
      3   0.742442D+00  0.138255D+01  0.849036D+00 -0.138271D+01 -0.205860D+01
               191           192           193           194           195 
      1   0.819211D+00 -0.205860D+01  0.522984D+00 -0.751295D+00  0.480581D+00
      2  -0.131322D+01  0.104445D+01 -0.751295D+00  0.270525D+01 -0.359987D+01
      3   0.104445D+01 -0.417919D+01  0.480581D+00 -0.359987D+01  0.626855D+01
               196           197           198           199           200 
      1  -0.955946D+00  0.335502D+00 -0.146710D+01  0.712912D+01  0.417736D+00
      2   0.335502D+00 -0.230289D+01  0.430175D+01  0.417736D+00 -0.239705D+01
      3  -0.146710D+01  0.430175D+01 -0.133485D+02  0.194535D+01 -0.885118D+00
               201           202           203           204           205 
      1   0.194535D+01 -0.204829D+00 -0.179308D+01 -0.618790D+00  0.680756D+00
      2  -0.885118D+00 -0.179308D+01 -0.155103D+01  0.752481D+00 -0.277152D+00
      3  -0.478912D+01 -0.618790D+00  0.752481D+00  0.873716D+01 -0.256758D+01
               206           207           208           209           210 
      1  -0.277152D+00 -0.256758D+01  0.250919D+00 -0.819211D+00 -0.205860D+01
      2   0.981690D+00  0.647758D+01 -0.819211D+00  0.131322D+01  0.104445D+01
      3   0.647758D+01  0.333442D+01 -0.205860D+01  0.104445D+01  0.417919D+01
               211           212           213           214           215 
      1  -0.522984D+00  0.751295D+00  0.480581D+00 -0.955946D+00  0.335502D+00
      2   0.751295D+00 -0.270525D+01 -0.359987D+01  0.335502D+00 -0.230289D+01
      3   0.480581D+00 -0.359987D+01 -0.626855D+01  0.146710D+01 -0.430175D+01
               216           217           218           219           220 
      1   0.146710D+01 -0.800170D+01 -0.897262D+00 -0.308408D+01  0.870944D-01
      2  -0.430175D+01 -0.897262D+00 -0.133151D+01 -0.207835D+00 -0.850410D+00
      3  -0.133485D+02 -0.308408D+01 -0.207835D+00 -0.312364D+01 -0.426377D-01
               221           222           223           224           225 
      1  -0.850410D+00 -0.426377D-01 -0.778372D+00 -0.548480D-01 -0.138255D+01
      2   0.205575D+00 -0.587976D+00 -0.548480D-01 -0.150087D+00 -0.849036D+00
      3  -0.587976D+00 -0.742442D+00 -0.138255D+01 -0.849036D+00 -0.138271D+01
               226           227           228           229           230 
      1  -0.622777D+01  0.219278D+01 -0.214685D-01  0.137120D+01  0.241442D+01
      2   0.219278D+01  0.338742D+01  0.155502D+01  0.241442D+01  0.295977D+01
      3  -0.214685D-01  0.155502D+01  0.245810D+01  0.202049D+00  0.852518D+00
               231           232           233           234           235 
      1   0.202049D+00 -0.287509D+00  0.216839D+00  0.108835D+01  0.662942D+01
      2   0.852518D+00  0.216839D+00  0.544646D+00 -0.305288D+01 -0.183002D+01
      3  -0.763377D+01  0.108835D+01 -0.305288D+01 -0.503009D+01 -0.135780D+01
               236           237           238           239           240 
      1  -0.183002D+01 -0.135780D+01 -0.830912D+00  0.996789D+00  0.387368D+00
      2   0.145088D+01  0.503597D+00  0.996789D+00 -0.140250D+01 -0.574607D+00
      3   0.503597D+00  0.300927D+01  0.387368D+00 -0.574607D+00  0.880880D+00
               241           242           243           244           245 
      1  -0.186264D-01 -0.375355D-01  0.111066D+01 -0.663557D+00 -0.183770D+01
      2  -0.375355D-01 -0.677663D-01 -0.257768D+00 -0.183770D+01 -0.258962D+01
      3   0.111066D+01 -0.257768D+00  0.457996D+00 -0.555660D+00 -0.855221D+00
               246           247           248           249           250 
      1  -0.555660D+00 -0.120359D+01 -0.180990D+01 -0.327174D+00 -0.111692D+00
      2  -0.855221D+00 -0.180990D+01 -0.800124D+01 -0.232829D+01 -0.158166D+00
      3  -0.212116D+01 -0.327174D+00 -0.232829D+01 -0.236351D+01 -0.790697D+00
               251           252           253           254           255 
      1  -0.158166D+00 -0.790697D+00  0.814037D+01 -0.386238D+01  0.464364D+01
      2  -0.524983D+00 -0.160487D+01 -0.386238D+01  0.253703D-01 -0.734476D+01
      3  -0.160487D+01 -0.269992D+00  0.464364D+01 -0.734476D+01  0.101879D+02
               256           257           258           259           260 
      1  -0.214235D+01  0.722203D+00 -0.243127D+01  0.158936D+01 -0.285704D+01
      2   0.722203D+00 -0.737761D+01  0.520310D+01 -0.285704D+01  0.559958D+01
      3  -0.243127D+01  0.520310D+01 -0.460165D+01  0.398164D+01 -0.907191D+01
               261           262           263           264           265 
      1   0.398164D+01 -0.773413D+01  0.228412D+01 -0.567082D+01  0.688866D+00
      2  -0.907191D+01  0.228412D+01 -0.176766D+01  0.544214D+01 -0.119698D+01
      3   0.246542D+02 -0.567082D+01  0.544214D+01 -0.119258D+02  0.307434D+00
               266           267           268           269           270 
      1  -0.119698D+01  0.307434D+00 -0.345193D+00  0.467298D+00 -0.185590D+01
      2   0.268294D+01 -0.135931D+01  0.467298D+00 -0.580853D+00  0.160631D+01
      3  -0.135931D+01  0.295749D+00 -0.185590D+01  0.160631D+01 -0.639842D+01
               271           272           273           274           275 
      1  -0.333963D+00 -0.173854D+01 -0.307917D+01 -0.107040D+01  0.484971D+01
      2  -0.173854D+01  0.260273D+01 -0.147722D+00  0.484971D+01 -0.393956D+02
      3  -0.307917D+01 -0.147722D+00 -0.149321D+01 -0.664625D+01  0.534934D+02
               276           277           278           279           280 
      1  -0.664625D+01 -0.244914D+01 -0.110945D+01  0.172736D+01 -0.125569D+00
      2   0.534934D+02 -0.110945D+01  0.158546D+02 -0.183330D+02 -0.830452D+00
      3  -0.730091D+02  0.172736D+01 -0.183330D+02  0.213091D+02 -0.140751D+00
               281           282           283           284           285 
      1  -0.830452D+00 -0.140751D+00 -0.632282D+00 -0.345653D+00 -0.112565D+00
      2   0.137950D+00 -0.105019D+01 -0.345653D+00 -0.519550D+01 -0.453147D+01
      3  -0.105019D+01  0.150009D+01 -0.112565D+00 -0.453147D+01 -0.362447D+01
               286           287           288           289           290 
      1  -0.247904D+00 -0.303646D+00  0.232747D+00 -0.722314D+00 -0.182935D+00
      2  -0.303646D+00 -0.178522D+01 -0.539805D+01 -0.182935D+00 -0.265031D+01
      3   0.232747D+00 -0.539805D+01 -0.111499D+01 -0.297164D+01  0.349270D+01
               291           292           293           294           295 
      1  -0.297164D+01  0.205960D+01 -0.172069D+01  0.169988D+01 -0.327492D-02
      2   0.349270D+01 -0.172069D+01  0.154152D+02 -0.197416D+02  0.266946D+01
      3  -0.556486D+01  0.169988D+01 -0.197416D+02  0.141852D+02 -0.434166D+01
               296           297           298           299           300 
      1   0.266946D+01 -0.434166D+01  0.104477D+01 -0.783746D+01  0.304955D+01
      2  -0.247471D+02  0.314033D+02 -0.783746D+01  0.878533D-01 -0.137353D+01
      3   0.314033D+02 -0.465305D+02  0.304955D+01 -0.137353D+01  0.345793D+01
               301           302           303           304           305 
      1  -0.427524D+01  0.109696D+01 -0.220877D+01 -0.236605D+01 -0.930490D+00
      2   0.109696D+01 -0.150386D+02  0.170520D+02 -0.930490D+00  0.225459D+00
      3  -0.220877D+01  0.170520D+02 -0.251433D+02  0.419818D+01 -0.212739D+02
               306           307           308           309           310 
      1   0.419818D+01 -0.986950D-01  0.682285D+00 -0.458793D+00 -0.661616D+00
      2  -0.212739D+02  0.682285D+00  0.526024D+00 -0.207017D+00  0.623651D+00
      3   0.423264D+02 -0.458793D+00 -0.207017D+00  0.106346D+00  0.110385D+00
               311           312           313           314           315 
      1   0.623651D+00  0.110385D+00 -0.422126D-01  0.135646D-01  0.152544D+00
      2  -0.146531D+02 -0.984960D-01  0.135646D-01 -0.324744D+01 -0.140017D+01
      3  -0.984960D-01  0.125666D+01  0.152544D+00 -0.140017D+01  0.973673D+00
               316           317           318           319           320 
      1   0.158424D+01 -0.431850D+01  0.625837D+01 -0.223167D+01  0.176467D-01
      2  -0.431850D+01 -0.316472D+00  0.297079D+00  0.176467D-01  0.945127D+01
      3   0.625837D+01  0.297079D+00  0.658821D-01 -0.335429D+01  0.130979D+02
               321           322           323           324           325 
      1  -0.335429D+01  0.444308D+01 -0.719984D-01 -0.229116D+01  0.304536D-02
      2   0.130979D+02 -0.719984D-01  0.156324D+02  0.171334D+01  0.283580D+00
      3  -0.437513D+02 -0.229116D+01  0.171334D+01 -0.177139D+02 -0.574018D+00
               326           327           328           329           330 
      1   0.283580D+00 -0.574018D+00 -0.390613D+00  0.492328D+00 -0.499022D+00
      2   0.711301D+00 -0.869117D+00  0.492328D+00 -0.461337D+01  0.441983D+01
      3  -0.869117D+00  0.127170D+01 -0.499022D+00  0.441983D+01 -0.466479D+01
               331           332           333           334           335 
      1   0.635394D+00 -0.645404D+00  0.107675D+01  0.967666D+00 -0.110771D+01
      2  -0.645404D+00  0.485064D+01 -0.669336D+01 -0.110771D+01  0.137066D+01
      3   0.107675D+01 -0.669336D+01  0.116512D+02  0.732590D+01  0.768531D+00
               336           337           338           339           340 
      1   0.732590D+01  0.396077D+01  0.666954D+00  0.314522D+01  0.840143D+00
      2   0.768531D+00  0.666954D+00 -0.163692D+02 -0.361016D+01 -0.320239D+00
      3  -0.340148D+01  0.314522D+01 -0.361016D+01  0.377630D+02 -0.196978D+01
               341           342           343           344           345 
      1  -0.320239D+00 -0.196978D+01 -0.148350D+00  0.489039D+00 -0.859054D+00
      2   0.152567D+02  0.378451D+01  0.489039D+00  0.189676D+00 -0.173940D-01
      3   0.378451D+01 -0.136316D+02 -0.859054D+00 -0.173940D-01  0.565764D+00
               346           347           348           349           350 
      1   0.219966D+00  0.974088D-01  0.198213D+00  0.651537D+00  0.398393D-02
      2   0.974088D-01  0.202897D+01  0.155241D+01  0.398393D-02  0.170424D+01
      3   0.198213D+00  0.155241D+01  0.252348D+01  0.453922D+00  0.133232D+01
               351 
      1   0.453922D+00
      2   0.133232D+01
      3   0.761149D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.123918D-03  0.238756D-03  0.987177D+01  0.225046D-03  0.152669D-03
      2   0.153304D-03  0.974730D-04  0.203881D+02 -0.657859D-04 -0.266276D-03
      3   0.679870D+00 -0.550904D+02 -0.484636D-04 -0.967303D+01  0.977103D+01
                 6             7             8             9            10 
      1  -0.158841D+02 -0.269353D+01  0.109297D+03 -0.109154D-02 -0.379164D+01
      2   0.121844D+01  0.190581D+01 -0.140415D+02 -0.310521D-03 -0.384561D+01
      3   0.343483D-04 -0.231643D-04 -0.187350D-03 -0.188540D+01 -0.583860D+00
                11            12            13            14            15 
      1   0.861959D-01  0.747126D+00 -0.613412D+01 -0.387247D+02  0.173141D+03
      2   0.420178D+02  0.198280D+02 -0.182207D+01 -0.147932D+01  0.478479D+01
      3  -0.156171D+02  0.278586D+02  0.810840D+01 -0.163054D+01  0.388633D+01
                16            17            18            19            20 
      1   0.254588D+02 -0.271635D+03 -0.258436D+03  0.181596D+02 -0.208982D+01
      2   0.411666D+01 -0.462297D+01 -0.344361D+01  0.329488D+01 -0.685080D+02
      3   0.174062D+01  0.500062D+00 -0.654087D+01  0.488164D+01 -0.232939D+02
                21            22            23            24            25 
      1   0.120681D+02 -0.290542D+02  0.975226D+02  0.465102D+03 -0.291447D+02
      2  -0.182431D+02 -0.982841D+01 -0.138130D+02  0.683474D+00 -0.112061D+02
      3  -0.625515D+02  0.884375D+01 -0.637131D+01 -0.313509D+01  0.149881D+01
                26            27            28            29            30 
      1   0.214888D+03  0.181411D+03 -0.181595D+02  0.208987D+01  0.120679D+02
      2   0.463704D+01 -0.245516D+00 -0.329483D+01  0.685080D+02 -0.182431D+02
      3   0.146418D+01 -0.460115D+01  0.488166D+01 -0.232939D+02  0.625515D+02
                31            32            33            34            35 
      1   0.290542D+02 -0.975226D+02  0.465102D+03 -0.291447D+02  0.214888D+03
      2   0.982842D+01  0.138130D+02  0.683503D+00 -0.112061D+02  0.463707D+01
      3   0.884370D+01 -0.637132D+01  0.313510D+01 -0.149886D+01 -0.146421D+01
                36            37            38            39            40 
      1  -0.181411D+03  0.379163D+01 -0.861429D-01  0.747260D+00  0.613410D+01
      2   0.245519D+00  0.384561D+01 -0.420178D+02  0.198280D+02  0.182206D+01
      3  -0.460114D+01 -0.583851D+00 -0.156171D+02 -0.278586D+02  0.810841D+01
                41            42            43            44            45 
      1   0.387248D+02  0.173141D+03  0.254588D+02 -0.271635D+03  0.258436D+03
      2   0.147931D+01  0.478480D+01  0.411665D+01 -0.462297D+01  0.344359D+01
      3  -0.163052D+01 -0.388632D+01 -0.174061D+01 -0.500023D+00 -0.654088D+01
                46            47            48            49            50 
      1  -0.381666D+02 -0.385685D+01 -0.154761D+02 -0.172451D+02  0.185170D+02
      2   0.164477D+01 -0.889468D+01 -0.215513D+02  0.132103D+02  0.165723D+01
      3  -0.625479D+00 -0.533508D+01  0.476840D+01 -0.784703D+01 -0.765898D+00
                51            52            53            54            55 
      1   0.233929D+03 -0.138201D+02  0.105798D+03  0.117332D+03  0.618869D+01
      2   0.276605D+01 -0.703451D+01  0.225924D+01  0.666335D+00 -0.413803D+00
      3   0.383161D+01  0.120086D+01 -0.171993D+00  0.472903D+01 -0.328087D+00
                56            57            58            59            60 
      1   0.377495D+00 -0.563987D+00 -0.449570D+00 -0.275314D+02  0.242018D+02
      2   0.236325D+01  0.488901D+01  0.180295D+01 -0.815503D+00  0.495519D+00
      3   0.309824D+00  0.677614D+01  0.950426D+00 -0.584581D+00  0.998994D+00
                61            62            63            64            65 
      1   0.264575D+01  0.150192D+02 -0.307630D+02 -0.172546D+02  0.356668D+01
      2  -0.338332D+01  0.478286D+00  0.162806D-01  0.279686D+01 -0.184659D+02
      3  -0.408161D+00  0.352963D+00 -0.923017D+00 -0.321472D+01  0.254484D+01
                66            67            68            69            70 
      1   0.518339D+01  0.206097D+02 -0.116698D+03 -0.257928D+03 -0.106103D+02
      2  -0.848686D+01 -0.458050D+01 -0.256068D+01 -0.255635D+01 -0.179799D+02
      3   0.154095D+02  0.235635D+01 -0.130329D+01 -0.666954D+01  0.199053D+02
                71            72            73            74            75 
      1   0.472305D+02  0.115476D+03  0.274999D+01  0.509740D+00  0.166071D+01
      2  -0.452983D+00 -0.148987D+01  0.316503D+00  0.422035D+01  0.398211D+01
      3   0.126475D+01  0.444229D+01 -0.192371D+00 -0.310890D+01 -0.327880D+01
                76            77            78            79            80 
      1   0.377161D+00 -0.173479D+01 -0.313919D+01  0.214409D+01 -0.596727D+01
      2  -0.251108D+01  0.531869D+00  0.439452D+00 -0.484495D+01  0.629287D+00
      3   0.267009D+01 -0.349072D+00 -0.653175D+00  0.377106D+01 -0.834585D+00
                81            82            83            84            85 
      1  -0.240612D+02  0.144484D+01  0.900420D+01  0.145033D+02  0.918385D+01
      2   0.559795D+00 -0.127267D+01 -0.296302D+01  0.247795D+02 -0.590857D+01
      3  -0.188310D+01 -0.225533D+01  0.261945D+02  0.171168D+02  0.168845D+02
                86            87            88            89            90 
      1  -0.603974D+02 -0.120562D+03  0.193041D+02 -0.141032D+03 -0.201609D+03
      2   0.179085D+01  0.149555D+01  0.182910D+02  0.309858D+01  0.569829D+01
      3   0.932515D+00 -0.174988D+01 -0.138801D+02 -0.843727D+00 -0.589015D+01
                91            92            93            94            95 
      1   0.827028D+00  0.344708D+00  0.626720D+00 -0.195076D+01  0.275459D+02
      2  -0.121041D+00  0.113267D-01  0.323144D-01 -0.559445D+00  0.159761D+01
      3   0.508974D+00 -0.776804D+01 -0.510209D+01  0.604967D+01  0.318849D+00
                96            97            98            99           100 
      1   0.635406D+01  0.576605D+00 -0.865575D+01 -0.915194D+00  0.997259D+01
      2  -0.795288D-01 -0.388735D+00 -0.479654D+00  0.156627D+00  0.446546D+00
      3   0.207013D-01 -0.133486D+01 -0.939324D+00 -0.567010D+00  0.922772D+00
               101           102           103           104           105 
      1  -0.110825D+02 -0.220631D+02  0.126287D+01  0.545222D+02 -0.448946D+02
      2  -0.381177D+01  0.174729D+02 -0.940323D+00 -0.598446D+01 -0.659343D+01
      3   0.639385D+00 -0.912676D+01 -0.735487D+01  0.601620D+00 -0.217969D+01
               106           107           108           109           110 
      1  -0.193943D+02  0.163543D+03  0.304504D+03  0.124288D+02  0.931137D+01
      2  -0.149021D+02 -0.599635D+01 -0.211973D+00 -0.278701D+01  0.287459D+02
      3   0.680835D+01  0.198543D+00  0.485918D+01  0.371313D+01 -0.194327D+02
               111           112           113           114           115 
      1  -0.264897D+01  0.396136D+02 -0.326744D+03 -0.491639D+03  0.186401D+01
      2   0.401491D+02  0.617991D+01  0.964168D+01  0.948746D+00  0.135841D+02
      3  -0.269928D+02 -0.619366D+01 -0.191463D+01 -0.674551D+01 -0.149122D+02
               116           117           118           119           120 
      1  -0.482764D+02 -0.127529D+03  0.690230D+00  0.122676D+01  0.645363D+01
      2   0.496862D+01  0.308599D+01 -0.341243D+00  0.975750D+01  0.596876D+00
      3   0.153744D+01 -0.123422D+00  0.731662D-01  0.354129D+01  0.943737D+01
               121           122           123           124           125 
      1   0.456817D+00  0.101667D+02 -0.157498D+02  0.179418D+01 -0.270490D+02
      2   0.254543D+01  0.194232D+00 -0.431515D+00 -0.212569D+01  0.101749D+01
      3   0.409912D+01  0.984510D+00 -0.963984D+00 -0.265324D+01 -0.465091D+00
               126           127           128           129           130 
      1  -0.159322D+01 -0.280203D+02  0.526649D+01  0.476273D+02  0.944991D+01
      2   0.993428D-01 -0.180391D+02  0.217996D+02  0.237079D+02  0.677699D+01
      3   0.737602D+00 -0.691358D+01  0.667537D+01  0.151574D+02  0.294976D+01
               131           132           133           134           135 
      1  -0.851610D+02 -0.546563D+02  0.229036D+02 -0.470064D+02 -0.121457D+03
      2   0.568766D+00 -0.487472D+01  0.419108D+01  0.415278D+01  0.707158D+01
      3  -0.105442D+01 -0.720525D-01 -0.370424D+00  0.177571D+01  0.577058D+01
               136           137           138           139           140 
      1   0.191513D+02 -0.145064D+02 -0.481629D+02 -0.466898D+01  0.189007D+02
      2   0.161524D+02 -0.308463D+01 -0.310163D+01 -0.131070D+01 -0.119211D+01
      3   0.588256D+01 -0.457294D+01 -0.339791D+01  0.631815D-01  0.301551D+01
               141           142           143           144           145 
      1   0.189541D+01 -0.510203D+01  0.128405D+02  0.252482D+02  0.883579D+01
      2  -0.651287D+00 -0.158324D+01 -0.239123D+01  0.142211D+00  0.213456D+02
      3   0.276640D+01  0.233727D+00 -0.140183D-01  0.632405D+00  0.107323D+02
               146           147           148           149           150 
      1   0.125626D+02 -0.721904D+01  0.123797D+02  0.123084D+02 -0.197103D+02
      2  -0.601192D+01  0.604709D+01 -0.571093D+01 -0.334859D+01  0.438970D+01
      3  -0.742159D+01  0.376451D+01 -0.102204D+01 -0.381382D+01  0.253324D+01
               151           152           153           154           155 
      1   0.891468D+00 -0.355910D+01 -0.312200D+01 -0.696040D+01 -0.106280D+02
      2  -0.335466D+01  0.264257D+01 -0.758093D+01  0.201095D+01  0.595171D+01
      3   0.148813D+00  0.928405D+00 -0.280184D+01  0.175138D+01  0.315820D+01
               156           157           158           159           160 
      1  -0.147140D+01 -0.737235D+01 -0.332780D+02  0.136087D+01 -0.106991D+01
      2  -0.327813D-01  0.432606D+01  0.568039D+01 -0.750801D+00 -0.932615D+00
      3  -0.144478D+01  0.523272D+01  0.421616D+01 -0.110320D+01 -0.400439D+00
               161           162           163           164           165 
      1  -0.208295D+01 -0.107115D+02 -0.526706D+01  0.536803D+01  0.569199D+01
      2  -0.799518D+00  0.314488D+01 -0.226880D+02  0.670566D+01 -0.147555D+00
      3  -0.597698D+00  0.115255D+01 -0.126398D+02  0.990370D-01 -0.226624D+01
               166           167           168           169           170 
      1   0.348073D+01 -0.545334D+01  0.253426D+01  0.234094D+01  0.416069D+00
      2   0.282640D+01 -0.366389D+01  0.115902D+01 -0.892537D+00 -0.814966D-01
      3   0.206844D+01 -0.138373D+01  0.561201D+00  0.138327D+00  0.305523D+00
               171           172           173           174           175 
      1  -0.453435D+01  0.245668D+00 -0.112440D+02  0.601155D+00 -0.973144D+01
      2  -0.400379D+01 -0.346562D+02 -0.207469D+01  0.157635D+02  0.150393D+01
      3  -0.961619D+00 -0.581226D+01 -0.402507D+01  0.271521D+01  0.160812D+01
               176           177           178           179           180 
      1  -0.140892D+02 -0.130203D+00 -0.826343D+00  0.574913D+01  0.359613D+02
      2   0.885984D+01 -0.577495D+01  0.214203D+01 -0.304663D+01  0.156060D+02
      3   0.161213D+01 -0.240673D+01  0.664141D+00 -0.917408D+00  0.495973D+01
               181           182           183           184           185 
      1  -0.236106D+01 -0.805915D+01 -0.165094D+01 -0.431122D+01  0.250536D+01
      2   0.382769D+02  0.427876D+01 -0.101069D+02 -0.675969D+00  0.380747D+01
      3   0.692050D+01 -0.295974D+01 -0.281140D+01  0.645996D+00  0.112412D+01
               186           187           188           189           190 
      1   0.591512D+00 -0.832291D+00  0.278906D+00 -0.386448D+01 -0.247519D+01
      2   0.642472D-01 -0.381532D+01  0.548291D+00  0.651982D+01 -0.186989D+01
      3   0.410526D+00 -0.528601D+00  0.878131D-01  0.550167D+00 -0.624400D+00
               191           192           193           194           195 
      1   0.741963D+01 -0.842734D+00  0.374400D+01 -0.121104D+02  0.114746D+02
      2   0.389802D+01 -0.100054D+02  0.362030D+01 -0.430703D+01  0.387675D+01
      3  -0.121054D+00 -0.249527D+01  0.197054D+01 -0.105866D+01  0.161053D+01
               196           197           198           199           200 
      1  -0.318623D+00  0.128878D+02 -0.946697D+01 -0.245697D+00  0.112440D+02
      2  -0.808221D+01  0.299793D+01 -0.101620D+02  0.346562D+02  0.207469D+01
      3  -0.193590D+01  0.106682D+01 -0.259846D+01 -0.581226D+01 -0.402507D+01
               201           202           203           204           205 
      1   0.601167D+00  0.973145D+01  0.140892D+02 -0.130191D+00 -0.826336D+00
      2   0.157635D+02 -0.150391D+01 -0.885982D+01 -0.577495D+01  0.214205D+01
      3  -0.271521D+01  0.160813D+01  0.161214D+01  0.240673D+01 -0.664143D+00
               206           207           208           209           210 
      1   0.574914D+01 -0.359613D+02  0.247519D+01 -0.741962D+01 -0.842733D+00
      2  -0.304662D+01 -0.156060D+02  0.186990D+01 -0.389802D+01 -0.100054D+02
      3   0.917393D+00  0.495972D+01 -0.624400D+00 -0.121054D+00  0.249527D+01
               211           212           213           214           215 
      1  -0.374400D+01  0.121104D+02  0.114746D+02 -0.318622D+00  0.128878D+02
      2  -0.362030D+01  0.430703D+01  0.387675D+01 -0.808221D+01  0.299793D+01
      3   0.197054D+01 -0.105866D+01 -0.161053D+01  0.193590D+01 -0.106681D+01
               216           217           218           219           220 
      1   0.946696D+01  0.236106D+01  0.805915D+01 -0.165092D+01  0.431122D+01
      2   0.101620D+02 -0.382769D+02 -0.427876D+01 -0.101069D+02  0.675964D+00
      3  -0.259846D+01  0.692050D+01 -0.295974D+01  0.281140D+01  0.645996D+00
               221           222           223           224           225 
      1  -0.250537D+01  0.591517D+00 -0.832293D+00  0.278903D+00  0.386449D+01
      2  -0.380748D+01  0.642462D-01 -0.381533D+01  0.548289D+00 -0.651981D+01
      3   0.112412D+01 -0.410526D+00  0.528599D+00 -0.878128D-01  0.550165D+00
               226           227           228           229           230 
      1  -0.883577D+01 -0.125626D+02 -0.721903D+01 -0.123798D+02 -0.123084D+02
      2  -0.213456D+02  0.601192D+01  0.604709D+01  0.571094D+01  0.334860D+01
      3   0.107323D+02 -0.742160D+01 -0.376450D+01 -0.102204D+01 -0.381384D+01
               231           232           233           234           235 
      1  -0.197103D+02  0.891438D+00 -0.355909D+01  0.312199D+01  0.526707D+01
      2   0.438971D+01 -0.335468D+01  0.264255D+01  0.758091D+01  0.226879D+02
      3  -0.253323D+01 -0.148822D+00 -0.928392D+00 -0.280182D+01 -0.126398D+02
               236           237           238           239           240 
      1  -0.536802D+01  0.569199D+01 -0.348073D+01  0.545335D+01  0.253425D+01
      2  -0.670566D+01 -0.147549D+00 -0.282640D+01  0.366389D+01  0.115902D+01
      3   0.990342D-01  0.226624D+01  0.206843D+01 -0.138372D+01 -0.561200D+00
               241           242           243           244           245 
      1   0.234095D+01  0.416070D+00  0.453435D+01  0.696040D+01  0.106280D+02
      2  -0.892535D+00 -0.814956D-01  0.400379D+01 -0.201094D+01 -0.595171D+01
      3  -0.138326D+00 -0.305523D+00 -0.961619D+00  0.175137D+01  0.315819D+01
               246           247           248           249           250 
      1  -0.147140D+01  0.737234D+01  0.332780D+02  0.136087D+01 -0.106991D+01
      2  -0.327810D-01 -0.432607D+01 -0.568039D+01 -0.750801D+00 -0.932616D+00
      3   0.144478D+01  0.523272D+01  0.421616D+01  0.110320D+01  0.400439D+00
               251           252           253           254           255 
      1  -0.208295D+01  0.107115D+02  0.280202D+02 -0.526670D+01  0.476273D+02
      2  -0.799520D+00 -0.314488D+01  0.180389D+02 -0.217996D+02  0.237078D+02
      3   0.597698D+00  0.115255D+01 -0.691344D+01  0.667549D+01 -0.151574D+02
               256           257           258           259           260 
      1  -0.944983D+01  0.851610D+02 -0.546562D+02  0.229036D+02 -0.470065D+02
      2  -0.677688D+01 -0.568493D+00 -0.487469D+01  0.419107D+01  0.415274D+01
      3   0.294972D+01 -0.105455D+01  0.720244D-01  0.370437D+00 -0.177572D+01
               261           262           263           264           265 
      1   0.121458D+03 -0.191513D+02  0.145064D+02 -0.481629D+02  0.466897D+01
      2  -0.707138D+01 -0.161524D+02  0.308462D+01 -0.310164D+01  0.131071D+01
      3   0.577045D+01  0.588257D+01 -0.457294D+01  0.339791D+01  0.631767D-01
               266           267           268           269           270 
      1  -0.189007D+02  0.189541D+01 -0.510204D+01  0.128405D+02 -0.252482D+02
      2   0.119212D+01 -0.651290D+00 -0.158324D+01 -0.239123D+01 -0.142199D+00
      3   0.301550D+01 -0.276640D+01 -0.233726D+00  0.140186D-01  0.632413D+00
               271           272           273           274           275 
      1  -0.124288D+02 -0.931127D+01 -0.264881D+01 -0.396137D+02  0.326744D+03
      2   0.278699D+01 -0.287458D+02  0.401491D+02 -0.617997D+01 -0.964165D+01
      3   0.371320D+01 -0.194326D+02  0.269928D+02 -0.619368D+01 -0.191483D+01
               276           277           278           279           280 
      1  -0.491639D+03  0.186407D+01 -0.482763D+02  0.127529D+03 -0.690239D+00
      2   0.948807D+00  0.135841D+02  0.496864D+01 -0.308598D+01  0.341238D+00
      3   0.674548D+01  0.149123D+02 -0.153739D+01 -0.123478D+00  0.731683D-01
               281           282           283           284           285 
      1  -0.122675D+01  0.645362D+01 -0.456820D+00 -0.101667D+02 -0.157498D+02
      2  -0.975750D+01  0.596874D+00 -0.254543D+01 -0.194232D+00 -0.431510D+00
      3   0.354130D+01 -0.943738D+01  0.409913D+01  0.984518D+00  0.963982D+00
               286           287           288           289           290 
      1   0.179418D+01 -0.270490D+02  0.159323D+01 -0.997281D+01  0.110824D+02
      2  -0.212569D+01  0.101749D+01 -0.993400D-01 -0.446508D+00  0.381162D+01
      3   0.265324D+01  0.465095D+00  0.737599D+00  0.922825D+00  0.639268D+00
               291           292           293           294           295 
      1  -0.220634D+02 -0.126280D+01 -0.545223D+02 -0.448946D+02 -0.193944D+02
      2   0.174729D+02  0.940328D+00  0.598440D+01 -0.659347D+01 -0.149020D+02
      3   0.912688D+01 -0.735497D+01  0.601608D+00  0.217969D+01 -0.680835D+01
               296           297           298           299           300 
      1   0.163543D+03 -0.304504D+03 -0.144475D+01 -0.900408D+01  0.145033D+02
      2  -0.599637D+01  0.211917D+00  0.127265D+01  0.296311D+01  0.247795D+02
      3  -0.198492D+00  0.485917D+01 -0.225535D+01  0.261946D+02 -0.171168D+02
               301           302           303           304           305 
      1  -0.918390D+01  0.603974D+02 -0.120562D+03  0.193041D+02 -0.141032D+03
      2   0.590860D+01 -0.179085D+01  0.149555D+01  0.182910D+02  0.309858D+01
      3   0.168846D+02  0.932513D+00  0.174986D+01  0.138801D+02  0.843683D+00
               306           307           308           309           310 
      1   0.201609D+03 -0.827037D+00 -0.344699D+00  0.626715D+00  0.195076D+01
      2  -0.569828D+01  0.121044D+00 -0.113338D-01  0.323180D-01  0.559443D+00
      3  -0.589014D+01  0.508972D+00 -0.776804D+01  0.510208D+01  0.604967D+01
               311           312           313           314           315 
      1  -0.275459D+02  0.635405D+01  0.576605D+00 -0.865574D+01  0.915199D+00
      2  -0.159761D+01 -0.795311D-01 -0.388734D+00 -0.479654D+00 -0.156628D+00
      3   0.318852D+00 -0.207027D-01  0.133486D+01  0.939324D+00 -0.567010D+00
               316           317           318           319           320 
      1   0.172547D+02 -0.356661D+01  0.518345D+01 -0.206097D+02  0.116698D+03
      2  -0.279686D+01  0.184659D+02 -0.848686D+01  0.458050D+01  0.256069D+01
      3  -0.321472D+01  0.254484D+01 -0.154095D+02  0.235637D+01 -0.130327D+01
               321           322           323           324           325 
      1  -0.257928D+03 -0.106103D+02  0.472305D+02 -0.115476D+03 -0.274996D+01
      2  -0.255635D+01 -0.179800D+02 -0.453011D+00  0.148987D+01 -0.316502D+00
      3   0.666955D+01 -0.199053D+02 -0.126475D+01  0.444228D+01 -0.192367D+00
               326           327           328           329           330 
      1  -0.509750D+00  0.166071D+01 -0.377159D+00  0.173479D+01 -0.313919D+01
      2  -0.422035D+01  0.398212D+01  0.251108D+01 -0.531870D+00  0.439453D+00
      3  -0.310890D+01  0.327881D+01  0.267009D+01 -0.349072D+00  0.653176D+00
               331           332           333           334           335 
      1   0.214408D+01 -0.596726D+01  0.240611D+02  0.381665D+02  0.385671D+01
      2  -0.484495D+01  0.629286D+00 -0.559795D+00 -0.164475D+01  0.889465D+01
      3  -0.377106D+01  0.834586D+00 -0.188310D+01 -0.625493D+00 -0.533507D+01
               336           337           338           339           340 
      1  -0.154762D+02  0.172450D+02 -0.185171D+02  0.233929D+03 -0.138200D+02
      2  -0.215512D+02 -0.132103D+02 -0.165721D+01  0.276603D+01 -0.703450D+01
      3  -0.476842D+01 -0.784704D+01 -0.765889D+00 -0.383163D+01 -0.120087D+01
               341           342           343           344           345 
      1   0.105798D+03 -0.117332D+03 -0.618869D+01 -0.377489D+00 -0.564000D+00
      2   0.225927D+01 -0.666332D+00  0.413807D+00 -0.236325D+01  0.488902D+01
      3   0.171982D+00  0.472902D+01 -0.328089D+00  0.309826D+00 -0.677615D+01
               346           347           348           349           350 
      1   0.449567D+00  0.275314D+02  0.242018D+02  0.264576D+01  0.150192D+02
      2  -0.180295D+01  0.815498D+00  0.495519D+00 -0.338331D+01  0.478293D+00
      3   0.950427D+00 -0.584581D+00 -0.998994D+00  0.408161D+00 -0.352964D+00
               351 
      1   0.307630D+02
      2  -0.162768D-01
      3  -0.923014D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.341402D+02  0.228951D+00  0.155208D-05  0.139966D+01  0.108669D+02
      2  -0.226081D+02 -0.433669D+01 -0.155686D-05 -0.103983D+01 -0.179258D+02
      3  -0.115320D+02  0.410774D+01  0.000000D+00 -0.359838D+00  0.705897D+01
      4   0.226351D+01  0.346251D+01 -0.245247D-05 -0.145003D+02  0.663538D+00
      5  -0.173708D-05 -0.561059D-05  0.168809D+01 -0.184481D-05  0.000000D+00
      6  -0.346997D-05  0.750465D-05 -0.557088D+00 -0.147185D-05 -0.359301D-05
                 6             7             8             9            10 
      1   0.000000D+00  0.000000D+00  0.000000D+00  0.368537D+02  0.328520D+01
      2  -0.322622D-05  0.125311D-05  0.000000D+00 -0.498282D+01 -0.736121D+01
      3   0.374999D-05 -0.180990D-05  0.000000D+00 -0.318709D+02  0.407601D+01
      4   0.000000D+00  0.000000D+00  0.000000D+00  0.628500D+01 -0.282607D-01
      5   0.289620D+00  0.156835D+01  0.588955D+01 -0.244765D-05  0.150785D+01
      6  -0.307711D+02  0.119022D+02 -0.930937D+02 -0.423854D-05 -0.499581D+01
                11            12            13            14            15 
      1  -0.631245D+00  0.222952D+01 -0.503276D+01  0.151833D+02  0.193401D+02
      2   0.495765D+01 -0.688129D+00  0.233757D+01 -0.383810D+01 -0.674042D+01
      3  -0.432640D+01 -0.154139D+01  0.269519D+01 -0.113452D+02 -0.125997D+02
      4  -0.482694D+01  0.161749D+01  0.148363D+02  0.251910D+01  0.470805D+01
      5  -0.752747D+01 -0.890818D+00  0.591151D+01  0.341775D+01  0.281874D+01
      6   0.406523D+01 -0.830351D+01  0.765961D+01 -0.527033D+02 -0.665651D+02
                16            17            18            19            20 
      1   0.283130D+01  0.331625D+02 -0.234440D+02  0.501222D+01  0.851363D+00
      2   0.398975D+01 -0.817651D+02 -0.353621D+02 -0.776119D+01  0.101641D+02
      3  -0.682105D+01  0.486026D+02  0.588061D+02  0.274897D+01 -0.110155D+02
      4   0.366728D+01  0.405659D+01 -0.669300D+01  0.299916D+01 -0.572879D+01
      5  -0.627159D+01  0.313508D+01 -0.654866D+01  0.137067D+01  0.728789D+01
      6  -0.745147D+01 -0.566050D+02  0.133012D+03 -0.144222D+02  0.254108D+01
                21            22            23            24            25 
      1   0.763486D+01 -0.126734D+02  0.702033D+02  0.111232D+03 -0.745129D+01
      2   0.804016D+00  0.132209D+02 -0.601292D+02 -0.110413D+03  0.101388D+02
      3  -0.843888D+01 -0.547463D+00 -0.100740D+02 -0.818141D+00 -0.268747D+01
      4  -0.522035D+01  0.132036D+02  0.154641D+02  0.215717D+02  0.399766D+01
      5   0.116827D+02  0.205787D+02  0.107760D+02  0.146372D+02  0.186850D+02
      6  -0.310270D+02  0.399977D+02 -0.284570D+03 -0.409101D+03  0.117562D+02
                26            27            28            29            30 
      1   0.939993D+01  0.248436D+02  0.501222D+01  0.851363D+00 -0.763486D+01
      2  -0.282076D+02 -0.627619D+02 -0.776120D+01  0.101641D+02 -0.804017D+00
      3   0.188076D+02  0.379183D+02  0.274898D+01 -0.110155D+02  0.843888D+01
      4   0.279440D+01  0.591532D+01  0.299916D+01 -0.572879D+01  0.522035D+01
      5  -0.840294D+01 -0.525674D+01 -0.137067D+01 -0.728788D+01  0.116827D+02
      6  -0.143864D+01 -0.116274D+03  0.144222D+02 -0.254108D+01 -0.310270D+02
                31            32            33            34            35 
      1  -0.126734D+02  0.702033D+02 -0.111232D+03  0.745129D+01 -0.939993D+01
      2   0.132209D+02 -0.601292D+02  0.110413D+03 -0.101388D+02  0.282076D+02
      3  -0.547462D+00 -0.100740D+02  0.818141D+00  0.268747D+01 -0.188076D+02
      4   0.132036D+02  0.154641D+02 -0.215717D+02 -0.399766D+01 -0.279440D+01
      5  -0.205787D+02 -0.107760D+02  0.146372D+02  0.186850D+02 -0.840294D+01
      6  -0.399977D+02  0.284570D+03 -0.409101D+03  0.117562D+02 -0.143864D+01
                36            37            38            39            40 
      1   0.248436D+02  0.328520D+01 -0.631246D+00 -0.222952D+01 -0.503276D+01
      2  -0.627619D+02 -0.736120D+01  0.495765D+01  0.688129D+00  0.233757D+01
      3   0.379183D+02  0.407601D+01 -0.432641D+01  0.154139D+01  0.269519D+01
      4   0.591532D+01 -0.282618D-01 -0.482694D+01 -0.161749D+01  0.148363D+02
      5   0.525674D+01 -0.150785D+01  0.752747D+01 -0.890818D+00 -0.591151D+01
      6   0.116274D+03  0.499581D+01 -0.406523D+01 -0.830351D+01 -0.765961D+01
                41            42            43            44            45 
      1   0.151833D+02 -0.193401D+02 -0.283130D+01 -0.331625D+02 -0.234440D+02
      2  -0.383810D+01  0.674042D+01 -0.398975D+01  0.817651D+02 -0.353621D+02
      3  -0.113452D+02  0.125997D+02  0.682105D+01 -0.486026D+02  0.588061D+02
      4   0.251910D+01 -0.470805D+01 -0.366728D+01 -0.405659D+01 -0.669300D+01
      5  -0.341775D+01  0.281874D+01 -0.627159D+01  0.313508D+01  0.654866D+01
      6   0.527033D+02 -0.665651D+02 -0.745147D+01 -0.566050D+02 -0.133012D+03
                46            47            48            49            50 
      1   0.668530D+01  0.152981D+01 -0.882944D+01  0.322662D+01 -0.239727D+02
      2  -0.243907D+02 -0.969380D+01 -0.483725D+01 -0.128891D+02  0.107656D+03
      3   0.177054D+02  0.816399D+01  0.136667D+02  0.966245D+01 -0.836833D+02
      4  -0.119616D+01  0.891643D+01  0.294131D+02 -0.170535D+02 -0.508725D+01
      5  -0.506780D+01  0.117468D+02  0.585307D+02 -0.287307D+02 -0.146483D+01
      6   0.268440D+02 -0.154745D+01  0.183285D+02  0.790383D+01  0.388507D+02
                51            52            53            54            55 
      1   0.190339D+02 -0.169843D+01 -0.302208D+02  0.120072D+02  0.983290D+00
      2   0.107264D+03 -0.371392D+01  0.577247D+02  0.192743D+01 -0.129023D+01
      3  -0.126298D+03  0.541234D+01 -0.275039D+02 -0.139347D+02  0.306943D+00
      4   0.497417D+01  0.952294D+00 -0.281310D+01  0.699210D+01  0.512976D+00
      5   0.114502D+02  0.130911D+02 -0.332601D+01  0.684829D+01  0.601270D+00
      6  -0.179779D+03  0.589097D+01  0.428441D+02 -0.773688D+02 -0.552870D+01
                56            57            58            59            60 
      1   0.403209D+00  0.193522D+01 -0.116200D+00 -0.185228D+01  0.481702D+01
      2  -0.243534D+00  0.173290D+01 -0.121317D+01 -0.133004D+02  0.205570D+02
      3  -0.159675D+00 -0.366812D+01  0.132937D+01  0.151527D+02 -0.253740D+02
      4  -0.759211D+00 -0.359654D+01  0.969656D+00  0.733387D+00 -0.944910D+00
      5  -0.346100D+01 -0.548563D+01 -0.279871D+01 -0.483512D+00  0.152334D+01
      6  -0.118067D+01 -0.767584D+00 -0.593889D+00 -0.617955D+01  0.268046D+01
                61            62            63            64            65 
      1   0.430604D+00  0.150782D+01 -0.182685D+02 -0.248699D+01 -0.586456D+01
      2   0.255157D+01  0.122986D+02 -0.416882D+02 -0.686566D+01  0.220335D+00
      3  -0.298217D+01 -0.138064D+02  0.599567D+02  0.935265D+01  0.564422D+01
      4   0.410839D+00 -0.711115D+00  0.952803D-01 -0.876118D+01  0.344246D+02
      5   0.653850D+01  0.365421D+00 -0.459669D+01 -0.997597D+01  0.298772D+02
      6  -0.112939D+01  0.860645D+01  0.633659D+01  0.492605D+02  0.524285D+01
                66            67            68            69            70 
      1  -0.848505D+01  0.856129D+00  0.855826D+01 -0.385611D+02 -0.821550D+01
      2   0.411113D+01  0.716162D+01 -0.806183D+02 -0.628774D+02 -0.328767D+01
      3   0.437392D+01 -0.801775D+01  0.720600D+02  0.101439D+03  0.115032D+02
      4   0.381776D+02  0.805327D+01  0.341034D+01 -0.646531D+01  0.400620D+02
      5   0.501362D+02  0.121840D+02  0.127302D+01 -0.828980D+01  0.358968D+02
      6   0.422635D+01 -0.107078D+02  0.145975D+02  0.221142D+03  0.103363D+02
                71            72            73            74            75 
      1  -0.249073D+02  0.142363D+02  0.247724D+00  0.481161D+01  0.649924D+01
      2   0.108621D+03  0.357669D+02  0.438859D+00 -0.109830D+01 -0.153156D+00
      3  -0.837134D+02 -0.500031D+02 -0.686583D+00 -0.371331D+01 -0.634608D+01
      4  -0.153993D+01  0.828805D+01 -0.469273D+00 -0.138076D+01 -0.314206D+01
      5   0.316507D+01  0.100968D+02 -0.566359D+00 -0.204342D+01 -0.345060D+01
      6   0.521457D+02 -0.822987D+02 -0.334944D+01 -0.936183D+01 -0.120894D+02
                76            77            78            79            80 
      1   0.263999D+01 -0.315117D+02 -0.316156D+02  0.410149D+01 -0.376128D+02
      2  -0.143357D+01  0.199322D+02  0.150364D+02  0.109310D+01  0.412429D+01
      3  -0.120642D+01  0.115796D+02  0.165791D+02 -0.519459D+01  0.334885D+02
      4   0.518321D+01 -0.511320D+01 -0.507263D+01  0.577183D+01 -0.547159D+01
      5   0.392387D+01 -0.497964D+01 -0.527169D+01  0.842664D+01 -0.696739D+01
      6  -0.618499D+01  0.586732D+02  0.593741D+02 -0.985229D+01  0.721417D+02
                81            82            83            84            85 
      1  -0.580722D+02 -0.267695D+01 -0.562671D+01  0.402601D+01  0.188275D+01
      2  -0.116501D+02  0.356916D+02  0.730918D+01  0.119316D+01 -0.820165D+00
      3   0.697223D+02 -0.330146D+02 -0.168247D+01 -0.521917D+01 -0.106258D+01
      4  -0.784373D+01 -0.715406D+01  0.724991D+02  0.272321D+02  0.364736D+02
      5  -0.118609D+02  0.126457D+00  0.265230D+02  0.851970D+01  0.107252D+02
      6   0.108776D+03  0.323354D+02 -0.208530D+01 -0.180925D+02 -0.106104D+02
                86            87            88            89            90 
      1  -0.284989D+02 -0.524104D+02  0.114142D+02 -0.958225D+01 -0.562920D+02
      2   0.410468D+02  0.454528D+02  0.266647D-01 -0.461293D+02  0.155959D+02
      3  -0.125479D+02  0.695764D+01 -0.114408D+02  0.557115D+02  0.406961D+02
      4  -0.224119D+01 -0.747918D+01 -0.258732D+02  0.111764D+01 -0.128928D+02
      5  -0.317539D+01 -0.692091D+01 -0.328796D+02 -0.313585D+01 -0.123125D+02
      6   0.114831D+03  0.159114D+03 -0.182979D+02  0.583109D+02  0.223193D+03
                91            92            93            94            95 
      1   0.255537D+00  0.264301D+01  0.958887D+00  0.155128D+01 -0.561790D+02
      2  -0.158382D+01 -0.501918D+01 -0.142475D+01 -0.590732D+01  0.145896D+03
      3   0.132829D+01  0.237617D+01  0.465863D+00  0.435604D+01 -0.897171D+02
      4   0.424173D+00 -0.553010D+01 -0.454794D+01  0.973044D+01 -0.855941D+01
      5   0.170688D+00 -0.172448D+01 -0.132829D+00  0.171389D+01 -0.325956D+00
      6  -0.342902D+01 -0.300369D+01 -0.108281D+01 -0.840155D+00  0.319852D+02
                96            97            98            99           100 
      1  -0.120402D+01 -0.588057D-01  0.826166D+01 -0.555225D+01  0.162237D+02
      2   0.508333D+01  0.791218D+00 -0.338495D+02  0.779426D+01  0.327338D+01
      3  -0.387931D+01 -0.732413D+00  0.255878D+02 -0.224200D+01 -0.194971D+02
      4   0.167646D-01 -0.163125D+01  0.312488D+00 -0.113548D+01  0.311423D+01
      5   0.445859D-02  0.133770D+01 -0.113452D+01 -0.376033D+00 -0.873565D+00
      6   0.714457D+00 -0.110715D+01  0.112371D+02  0.646756D+01 -0.154796D+02
               101           102           103           104           105 
      1  -0.686923D+01 -0.109075D+02 -0.209072D+01  0.297240D+02  0.351035D+02
      2   0.788980D+01  0.948689D+01  0.588837D+01 -0.565884D+02 -0.692182D+02
      3  -0.102057D+01  0.142065D+01 -0.379765D+01  0.268644D+02  0.341146D+02
      4   0.926277D+01 -0.161276D+02 -0.151408D+02  0.728299D+01  0.525029D+01
      5   0.166334D+01  0.366366D+01  0.220263D+01  0.353011D+01  0.414141D+01
      6   0.164174D+02  0.312585D+02  0.842317D+01 -0.103430D+03 -0.923384D+02
               106           107           108           109           110 
      1  -0.899089D+01  0.412296D+02  0.528094D+02  0.137860D+02  0.467301D+00
      2   0.766470D+01 -0.418222D+02 -0.621214D+02  0.393353D+01 -0.268520D+01
      3   0.132619D+01  0.592632D+00  0.931195D+01 -0.177195D+02  0.221790D+01
      4   0.110500D+02  0.831209D+01  0.104459D+02  0.352958D+01  0.904877D+01
      5   0.262689D+02  0.805293D+01  0.125468D+02  0.248493D+01 -0.586526D+01
      6   0.197274D+02 -0.152070D+03 -0.268528D+03 -0.164888D+02 -0.874848D+00
               111           112           113           114           115 
      1  -0.486871D+01  0.965521D+01 -0.614224D+02 -0.104050D+03  0.370171D+01
      2   0.218760D+01 -0.997996D+01  0.544262D+02  0.117594D+03 -0.334856D+01
      3   0.268111D+01  0.324753D+00  0.699621D+01 -0.135442D+02 -0.353147D+00
      4  -0.211713D+02 -0.954492D+01 -0.147934D+02 -0.168611D+02 -0.309348D+02
      5  -0.257227D+01 -0.156694D+02 -0.112870D+02 -0.183804D+02 -0.241676D+02
      6   0.107656D+02 -0.313749D+02  0.272529D+03  0.383821D+03 -0.623287D+01
               116           117           118           119           120 
      1  -0.245521D+02 -0.822294D+01 -0.106864D+01  0.161346D+01  0.321776D+01
      2   0.158670D+02  0.376101D+02  0.310056D+01  0.103547D+01 -0.237382D+01
      3   0.868505D+01 -0.293872D+02 -0.203193D+01 -0.264893D+01 -0.843941D+00
      4  -0.600295D+00 -0.152173D+01  0.108576D+01  0.759359D+01 -0.134279D+01
      5  -0.502835D+01 -0.597890D+01 -0.212712D+00 -0.181675D+01  0.280175D+01
      6   0.645051D+02  0.134392D+03 -0.180159D+01 -0.519818D+01 -0.707281D+01
               121           122           123           124           125 
      1  -0.271098D+00 -0.132428D+02  0.107404D+02  0.677109D+00  0.419850D+01
      2   0.138642D+01  0.403363D+02 -0.276697D+02 -0.801660D+00 -0.145320D+02
      3  -0.111532D+01 -0.270935D+02  0.169292D+02  0.124550D+00  0.103334D+02
      4   0.682191D+01  0.298767D+01 -0.121633D+01 -0.289993D+01 -0.200283D+01
      5  -0.308334D+01  0.356699D+00 -0.442694D+00  0.223129D+01 -0.568155D+00
      6  -0.608394D+00 -0.359167D+02  0.305660D+02 -0.980162D+00  0.353596D+02
               126           127           128           129           130 
      1  -0.155516D+02 -0.216198D+02  0.154843D+02  0.421910D+02  0.667926D+01
      2   0.159542D+02  0.193446D+02 -0.269038D+02 -0.409567D+02 -0.537494D+01
      3  -0.402640D+00  0.227517D+01  0.114195D+02 -0.123430D+01 -0.130432D+01
      4   0.524733D+00 -0.122180D+02  0.794495D+01  0.912161D+01  0.168444D+01
      5  -0.663215D+00  0.343163D+02 -0.178709D+02 -0.172359D+02 -0.123236D+02
      6  -0.925085D+01  0.152285D+02 -0.249970D+02 -0.286663D+02 -0.125013D+02
               131           132           133           134           135 
      1   0.147720D-01 -0.250527D+02  0.118782D+02 -0.181388D+02 -0.210437D+02
      2   0.734844D+01  0.136987D+02 -0.965159D+01  0.953113D+01  0.538748D+02
      3  -0.736321D+01  0.113540D+02 -0.222664D+01  0.860763D+01 -0.328310D+02
      4  -0.487641D+00 -0.795854D+01 -0.152250D+01 -0.523860D+01 -0.693652D+01
      5  -0.303241D+00  0.689156D+01 -0.137058D+02  0.822317D+01  0.355096D+01
      6   0.770733D+01  0.284573D+02 -0.179847D+02  0.326244D+02  0.119009D+03
               136           137           138           139           140 
      1   0.422121D+02 -0.139003D+02 -0.254531D+02 -0.316389D+01  0.524476D+01
      2  -0.277161D+02  0.168464D+02  0.370396D+02  0.281822D+01 -0.330180D+01
      3  -0.144961D+02 -0.294613D+01 -0.115865D+02  0.345667D+00 -0.194296D+01
      4   0.104391D+02 -0.345337D+00 -0.860294D+01  0.584731D+01 -0.760870D-01
      5  -0.325838D+02  0.970167D+01  0.251839D+02  0.360251D+01 -0.406748D+01
      6  -0.159503D+02  0.342754D+01  0.435090D+02 -0.216793D+01 -0.240987D+01
               141           142           143           144           145 
      1   0.411124D+01  0.918097D+00 -0.800887D+00  0.566820D+01 -0.768014D+01
      2  -0.173845D+01  0.533324D+01  0.166665D+01 -0.137070D+02 -0.658636D+01
      3  -0.237279D+01 -0.625134D+01 -0.865759D+00  0.803879D+01  0.142665D+02
      4  -0.240659D+01  0.590329D+00  0.758158D+00  0.265573D+01  0.200092D+02
      5  -0.186184D+01  0.873693D+01 -0.178874D+01 -0.692910D+01 -0.437155D+02
      6   0.771049D+01  0.400664D+01 -0.409553D+01 -0.275952D+02  0.150339D+02
               146           147           148           149           150 
      1   0.374610D+01 -0.141568D+02  0.470206D+01  0.629479D+01  0.102436D+02
      2  -0.703782D+01 -0.321121D+01 -0.101854D+02 -0.196772D+02  0.337747D+02
      3   0.329172D+01  0.173680D+02  0.548331D+01  0.133824D+02 -0.440183D+02
      4  -0.955160D+01  0.309280D+01 -0.529631D+01 -0.130363D+02  0.134203D+01
      5   0.143426D+02 -0.912463D+00  0.108187D+02  0.151262D+02 -0.174363D+01
      6   0.133562D+02  0.483266D+00  0.110192D+02  0.428221D+02  0.264485D+01
               151           152           153           154           155 
      1  -0.318945D+01  0.103235D+02 -0.282096D+01  0.129599D+01 -0.280407D+01
      2  -0.463005D+01  0.157862D+02 -0.396998D+01  0.542214D+01  0.104274D+02
      3   0.781950D+01 -0.261096D+02  0.679094D+01 -0.671813D+01 -0.762337D+01
      4  -0.286393D+00  0.958901D+00 -0.492674D+01  0.568989D+01  0.121873D+02
      5   0.294030D+01 -0.205861D+01  0.125125D+02 -0.417024D+01 -0.124002D+02
      6  -0.283996D+01  0.188255D+01 -0.450107D+02 -0.127219D+02 -0.180727D+02
               156           157           158           159           160 
      1   0.574181D+01 -0.317526D+01 -0.167727D+02  0.946974D+01  0.246880D+01
      2   0.378696D+01  0.842400D+01  0.401652D+02 -0.413898D+01  0.241515D+01
      3  -0.952877D+01 -0.524874D+01 -0.233924D+02 -0.533076D+01 -0.488395D+01
      4  -0.411843D+01  0.933267D+01  0.125394D+02 -0.316880D+01 -0.822872D+00
      5   0.555322D+01 -0.876177D+01 -0.122741D+02  0.368569D+01  0.212384D+01
      6   0.838001D+01 -0.115862D+02 -0.568192D+02  0.205705D+02  0.332739D+01
               161           162           163           164           165 
      1   0.504694D+01 -0.543371D+01  0.215628D+02 -0.328619D+01 -0.349850D+01
      2   0.137179D+01  0.402038D+01 -0.517649D+01 -0.303053D+01 -0.103488D+02
      3  -0.641873D+01  0.141332D+01 -0.163863D+02  0.631672D+01  0.138473D+02
      4  -0.976583D+00  0.403381D+01 -0.254728D+02  0.112222D+02 -0.576655D+01
      5   0.179604D+01 -0.635640D+01  0.451552D+02 -0.127116D+02  0.135692D+02
      6   0.130022D+02 -0.619491D+01 -0.171156D+02  0.113712D+02 -0.123031D+02
               166           167           168           169           170 
      1  -0.161326D+01  0.152785D+01 -0.526688D+00 -0.360038D+01 -0.949406D+00
      2  -0.185452D+01  0.442787D+01 -0.542425D+01 -0.393602D+01  0.579254D+00
      3   0.346778D+01 -0.595572D+01  0.595094D+01  0.753640D+01  0.370153D+00
      4   0.736270D+01 -0.450701D+01  0.233391D+01  0.190467D+00 -0.136460D+00
      5  -0.564157D+01  0.674615D+01 -0.319743D+01  0.539603D+01 -0.976771D+00
      6   0.700772D+01 -0.910505D+01  0.274083D+01 -0.332109D+01  0.143526D+01
               171           172           173           174           175 
      1   0.163994D+01 -0.833902D+01 -0.707580D+01  0.259317D+02 -0.322961D+01
      2  -0.165422D+01  0.177990D+02 -0.167197D+01  0.180132D+02 -0.357526D+00
      3   0.142783D-01 -0.945997D+01  0.874777D+01 -0.439449D+02  0.358714D+01
      4  -0.385963D+01 -0.956931D+01  0.487693D+00  0.422990D+01 -0.172901D+00
      5   0.758657D+01  0.688081D+02  0.492840D+01 -0.194615D+02 -0.345771D+01
      6   0.440031D+01  0.578570D+01 -0.194614D+02  0.171654D+02 -0.168540D+02
               176           177           178           179           180 
      1   0.558394D+01 -0.343167D+02  0.113523D+02 -0.261604D+02  0.258653D+02
      2   0.427452D+01 -0.400306D+02  0.113512D+02 -0.318250D+02  0.116688D+02
      3  -0.985846D+01  0.743473D+02 -0.227035D+02  0.579855D+02 -0.375341D+02
      4   0.374751D+01 -0.327334D+01  0.867380D+00 -0.131072D+01  0.559742D+01
      5  -0.178011D+02  0.613306D+01 -0.704267D+01  0.412825D+01 -0.270001D+02
      6  -0.142158D+02 -0.225557D+02  0.801207D+01 -0.170464D+02  0.642895D+02
               181           182           183           184           185 
      1   0.200019D+02  0.205037D+01  0.145249D+01 -0.136597D+00  0.103617D+01
      2  -0.277256D+02  0.432681D+00  0.206430D+02  0.160288D+01 -0.244346D+01
      3   0.772368D+01 -0.248305D+01 -0.220955D+02 -0.146629D+01  0.140729D+01
      4   0.127093D+02  0.543652D+01 -0.568012D+01  0.620018D+01  0.173346D+01
      5  -0.778341D+02 -0.881341D+01  0.362319D+02  0.196070D+01 -0.777357D+01
      6  -0.967044D+01 -0.118920D+02  0.447494D+01 -0.800932D+01  0.716391D+00
               186           187           188           189           190 
      1   0.400214D+01  0.335622D+01  0.404731D+01 -0.315353D+01 -0.545649D+01
      2   0.227734D+01  0.845501D+01  0.407162D+01 -0.985670D+01 -0.108891D+02
      3  -0.627948D+01 -0.118112D+02 -0.811892D+01  0.130102D+02  0.163456D+02
      4  -0.184141D+01 -0.346401D+00 -0.372547D+00  0.137045D+01 -0.185287D+01
      5  -0.317903D-01  0.119384D+02  0.515155D+00 -0.152004D+02  0.453293D+01
      6   0.861907D+01  0.189557D+01  0.453381D+01 -0.914698D+01 -0.108399D+02
               191           192           193           194           195 
      1   0.557425D+01 -0.173425D+02  0.299408D+01 -0.194050D+02  0.304637D+02
      2   0.365379D+01 -0.201321D+02  0.926765D+00 -0.854357D+01  0.231880D+02
      3  -0.922804D+01  0.374746D+02 -0.392084D+01  0.279486D+02 -0.536517D+02
      4   0.344726D+01 -0.587681D+01  0.322978D+01 -0.192480D+01  0.167974D+01
      5  -0.921942D+01  0.250157D+02 -0.626291D+01  0.775912D+01 -0.529032D+01
      6   0.137137D+02 -0.189080D+02  0.811358D+01 -0.330934D+02  0.491595D+02
               196           197           198           199           200 
      1  -0.753498D+01  0.223203D+02 -0.653686D+02 -0.833902D+01 -0.707580D+01
      2  -0.732516D+01  0.188703D+02 -0.666767D+02  0.177990D+02 -0.167197D+01
      3   0.148601D+02 -0.411906D+02  0.132045D+03 -0.945997D+01  0.874778D+01
      4  -0.276755D+01  0.117914D+01 -0.325166D+01 -0.956931D+01  0.487693D+00
      5   0.141420D+02 -0.401517D+01  0.170133D+02 -0.688081D+02 -0.492840D+01
      6  -0.678323D+01  0.352532D+02 -0.683716D+02 -0.578570D+01  0.194614D+02
               201           202           203           204           205 
      1  -0.259317D+02 -0.322961D+01  0.558394D+01  0.343167D+02 -0.113523D+02
      2  -0.180132D+02 -0.357527D+00  0.427452D+01  0.400306D+02 -0.113512D+02
      3   0.439449D+02  0.358714D+01 -0.985846D+01 -0.743473D+02  0.227035D+02
      4  -0.422990D+01 -0.172901D+00  0.374751D+01  0.327334D+01 -0.867380D+00
      5  -0.194615D+02  0.345772D+01  0.178011D+02  0.613306D+01 -0.704267D+01
      6   0.171654D+02  0.168540D+02  0.142158D+02 -0.225557D+02  0.801207D+01
               206           207           208           209           210 
      1   0.261604D+02  0.258653D+02 -0.545649D+01  0.557425D+01  0.173425D+02
      2   0.318250D+02  0.116688D+02 -0.108891D+02  0.365379D+01  0.201321D+02
      3  -0.579855D+02 -0.375341D+02  0.163456D+02 -0.922804D+01 -0.374746D+02
      4   0.131072D+01  0.559742D+01 -0.185287D+01  0.344726D+01  0.587681D+01
      5   0.412825D+01  0.270001D+02 -0.453293D+01  0.921942D+01  0.250157D+02
      6  -0.170464D+02 -0.642895D+02  0.108399D+02 -0.137137D+02 -0.189080D+02
               211           212           213           214           215 
      1   0.299408D+01 -0.194050D+02 -0.304637D+02  0.753498D+01 -0.223203D+02
      2   0.926765D+00 -0.854357D+01 -0.231880D+02  0.732516D+01 -0.188703D+02
      3  -0.392084D+01  0.279486D+02  0.536517D+02 -0.148601D+02  0.411906D+02
      4   0.322978D+01 -0.192480D+01 -0.167974D+01  0.276755D+01 -0.117914D+01
      5   0.626291D+01 -0.775912D+01 -0.529032D+01  0.141420D+02 -0.401517D+01
      6  -0.811358D+01  0.330934D+02  0.491595D+02 -0.678323D+01  0.352532D+02
               216           217           218           219           220 
      1  -0.653686D+02  0.200019D+02  0.205037D+01 -0.145249D+01 -0.136598D+00
      2  -0.666767D+02 -0.277256D+02  0.432681D+00 -0.206430D+02  0.160288D+01
      3   0.132045D+03  0.772368D+01 -0.248305D+01  0.220955D+02 -0.146629D+01
      4  -0.325166D+01  0.127093D+02  0.543652D+01  0.568012D+01  0.620018D+01
      5  -0.170133D+02  0.778341D+02  0.881341D+01  0.362319D+02 -0.196070D+01
      6   0.683716D+02  0.967044D+01  0.118920D+02  0.447494D+01  0.800932D+01
               221           222           223           224           225 
      1   0.103617D+01 -0.400214D+01 -0.335622D+01 -0.404731D+01 -0.315353D+01
      2  -0.244346D+01 -0.227734D+01 -0.845501D+01 -0.407162D+01 -0.985670D+01
      3   0.140729D+01  0.627948D+01  0.118112D+02  0.811892D+01  0.130102D+02
      4   0.173347D+01  0.184141D+01  0.346401D+00  0.372547D+00  0.137045D+01
      5   0.777357D+01 -0.317901D-01  0.119384D+02  0.515155D+00  0.152004D+02
      6  -0.716391D+00  0.861907D+01  0.189558D+01  0.453381D+01  0.914698D+01
               226           227           228           229           230 
      1  -0.768015D+01  0.374609D+01  0.141568D+02  0.470206D+01  0.629479D+01
      2  -0.658636D+01 -0.703781D+01  0.321121D+01 -0.101854D+02 -0.196772D+02
      3   0.142665D+02  0.329172D+01 -0.173680D+02  0.548331D+01  0.133824D+02
      4   0.200092D+02 -0.955160D+01 -0.309280D+01 -0.529631D+01 -0.130363D+02
      5   0.437155D+02 -0.143426D+02 -0.912463D+00 -0.108187D+02 -0.151262D+02
      6  -0.150339D+02 -0.133562D+02  0.483268D+00 -0.110192D+02 -0.428221D+02
               231           232           233           234           235 
      1  -0.102436D+02  0.318945D+01 -0.103235D+02 -0.282096D+01  0.215628D+02
      2  -0.337747D+02  0.463005D+01 -0.157862D+02 -0.396998D+01 -0.517649D+01
      3   0.440183D+02 -0.781950D+01  0.261096D+02  0.679094D+01 -0.163863D+02
      4  -0.134203D+01  0.286392D+00 -0.958901D+00 -0.492674D+01 -0.254728D+02
      5  -0.174363D+01  0.294030D+01 -0.205861D+01 -0.125125D+02 -0.451552D+02
      6   0.264486D+01 -0.283996D+01  0.188255D+01  0.450107D+02  0.171156D+02
               236           237           238           239           240 
      1  -0.328619D+01  0.349850D+01 -0.161326D+01  0.152785D+01  0.526687D+00
      2  -0.303053D+01  0.103488D+02 -0.185452D+01  0.442787D+01  0.542425D+01
      3   0.631672D+01 -0.138473D+02  0.346778D+01 -0.595572D+01 -0.595094D+01
      4   0.112222D+02  0.576655D+01  0.736270D+01 -0.450701D+01 -0.233391D+01
      5   0.127116D+02  0.135692D+02  0.564157D+01 -0.674615D+01 -0.319743D+01
      6  -0.113712D+02 -0.123031D+02 -0.700772D+01  0.910505D+01  0.274083D+01
               241           242           243           244           245 
      1   0.360038D+01  0.949406D+00  0.163994D+01  0.129599D+01 -0.280407D+01
      2   0.393602D+01 -0.579254D+00 -0.165422D+01  0.542214D+01  0.104274D+02
      3  -0.753640D+01 -0.370153D+00  0.142782D-01 -0.671813D+01 -0.762337D+01
      4  -0.190467D+00  0.136460D+00 -0.385963D+01  0.568989D+01  0.121873D+02
      5   0.539603D+01 -0.976771D+00 -0.758657D+01  0.417024D+01  0.124002D+02
      6  -0.332109D+01  0.143526D+01 -0.440031D+01  0.127219D+02  0.180727D+02
               246           247           248           249           250 
      1  -0.574181D+01 -0.317526D+01 -0.167727D+02 -0.946974D+01 -0.246880D+01
      2  -0.378696D+01  0.842400D+01  0.401652D+02  0.413898D+01 -0.241515D+01
      3   0.952877D+01 -0.524874D+01 -0.233924D+02  0.533076D+01  0.488395D+01
      4   0.411843D+01  0.933267D+01  0.125394D+02  0.316880D+01  0.822872D+00
      5   0.555322D+01  0.876177D+01  0.122741D+02  0.368569D+01  0.212384D+01
      6   0.838001D+01  0.115862D+02  0.568192D+02  0.205705D+02  0.332739D+01
               251           252           253           254           255 
      1  -0.504694D+01 -0.543371D+01 -0.216198D+02  0.154843D+02 -0.421910D+02
      2  -0.137179D+01  0.402038D+01  0.193446D+02 -0.269038D+02  0.409567D+02
      3   0.641873D+01  0.141332D+01  0.227517D+01  0.114195D+02  0.123429D+01
      4   0.976584D+00  0.403381D+01 -0.122180D+02  0.794495D+01 -0.912161D+01
      5   0.179604D+01  0.635640D+01 -0.343163D+02  0.178709D+02 -0.172359D+02
      6   0.130022D+02  0.619491D+01 -0.152285D+02  0.249970D+02 -0.286663D+02
               256           257           258           259           260 
      1   0.667927D+01  0.147806D-01  0.250527D+02 -0.118782D+02  0.181388D+02
      2  -0.537494D+01  0.734843D+01 -0.136987D+02  0.965158D+01 -0.953113D+01
      3  -0.130433D+01 -0.736321D+01 -0.113540D+02  0.222664D+01 -0.860763D+01
      4   0.168445D+01 -0.487643D+00  0.795854D+01  0.152249D+01  0.523860D+01
      5   0.123236D+02  0.303241D+00  0.689155D+01 -0.137058D+02  0.822317D+01
      6   0.125013D+02 -0.770733D+01  0.284573D+02 -0.179847D+02  0.326244D+02
               261           262           263           264           265 
      1  -0.210437D+02  0.422121D+02 -0.139003D+02  0.254531D+02 -0.316389D+01
      2   0.538748D+02 -0.277161D+02  0.168464D+02 -0.370396D+02  0.281822D+01
      3  -0.328311D+02 -0.144961D+02 -0.294613D+01  0.115865D+02  0.345667D+00
      4  -0.693652D+01  0.104391D+02 -0.345338D+00  0.860295D+01  0.584731D+01
      5  -0.355096D+01  0.325838D+02 -0.970167D+01  0.251839D+02 -0.360251D+01
      6  -0.119009D+03  0.159503D+02 -0.342754D+01  0.435090D+02  0.216793D+01
               266           267           268           269           270 
      1   0.524476D+01 -0.411124D+01 -0.918096D+00  0.800887D+00  0.566820D+01
      2  -0.330180D+01  0.173845D+01 -0.533324D+01 -0.166665D+01 -0.137070D+02
      3  -0.194296D+01  0.237279D+01  0.625134D+01  0.865758D+00  0.803879D+01
      4  -0.760871D-01  0.240659D+01 -0.590329D+00 -0.758158D+00  0.265573D+01
      5   0.406748D+01 -0.186184D+01  0.873692D+01 -0.178874D+01  0.692910D+01
      6   0.240987D+01  0.771049D+01  0.400664D+01 -0.409553D+01  0.275952D+02
               271           272           273           274           275 
      1   0.137860D+02  0.467300D+00  0.486871D+01  0.965521D+01 -0.614224D+02
      2   0.393353D+01 -0.268520D+01 -0.218760D+01 -0.997996D+01  0.544262D+02
      3  -0.177195D+02  0.221790D+01 -0.268111D+01  0.324756D+00  0.699622D+01
      4   0.352958D+01  0.904878D+01  0.211713D+02 -0.954492D+01 -0.147934D+02
      5  -0.248493D+01  0.586526D+01 -0.257226D+01  0.156694D+02  0.112870D+02
      6   0.164888D+02  0.874841D+00  0.107656D+02  0.313749D+02 -0.272529D+03
               276           277           278           279           280 
      1   0.104050D+03 -0.370171D+01  0.245521D+02 -0.822294D+01 -0.106864D+01
      2  -0.117594D+03  0.334856D+01 -0.158670D+02  0.376101D+02  0.310056D+01
      3   0.135442D+02  0.353149D+00 -0.868505D+01 -0.293872D+02 -0.203193D+01
      4   0.168611D+02  0.309348D+02  0.600293D+00 -0.152173D+01  0.108576D+01
      5  -0.183804D+02 -0.241676D+02 -0.502836D+01  0.597890D+01  0.212711D+00
      6   0.383821D+03 -0.623287D+01  0.645051D+02 -0.134392D+03  0.180159D+01
               281           282           283           284           285 
      1   0.161346D+01 -0.321776D+01 -0.271098D+00 -0.132428D+02 -0.107404D+02
      2   0.103547D+01  0.237382D+01  0.138642D+01  0.403363D+02  0.276697D+02
      3  -0.264893D+01  0.843942D+00 -0.111532D+01 -0.270935D+02 -0.169292D+02
      4   0.759359D+01  0.134279D+01  0.682191D+01  0.298767D+01  0.121633D+01
      5   0.181675D+01  0.280175D+01  0.308334D+01 -0.356698D+00 -0.442694D+00
      6   0.519818D+01 -0.707281D+01  0.608394D+00  0.359167D+02  0.305660D+02
               286           287           288           289           290 
      1  -0.677110D+00 -0.419850D+01 -0.155516D+02  0.162237D+02 -0.686923D+01
      2   0.801660D+00  0.145320D+02  0.159542D+02  0.327338D+01  0.788980D+01
      3  -0.124550D+00 -0.103334D+02 -0.402640D+00 -0.194971D+02 -0.102057D+01
      4   0.289993D+01  0.200283D+01  0.524733D+00  0.311423D+01  0.926276D+01
      5   0.223129D+01 -0.568155D+00  0.663215D+00  0.873562D+00 -0.166334D+01
      6  -0.980162D+00  0.353596D+02  0.925085D+01  0.154796D+02 -0.164174D+02
               291           292           293           294           295 
      1   0.109075D+02 -0.209072D+01  0.297240D+02 -0.351035D+02  0.899089D+01
      2  -0.948688D+01  0.588837D+01 -0.565884D+02  0.692182D+02 -0.766470D+01
      3  -0.142066D+01 -0.379765D+01  0.268644D+02 -0.341146D+02 -0.132619D+01
      4   0.161276D+02 -0.151408D+02  0.728299D+01 -0.525029D+01 -0.110500D+02
      5   0.366366D+01 -0.220263D+01 -0.353011D+01  0.414141D+01  0.262689D+02
      6   0.312585D+02 -0.842316D+01  0.103430D+03 -0.923384D+02  0.197274D+02
               296           297           298           299           300 
      1  -0.412296D+02  0.528094D+02 -0.267695D+01 -0.562671D+01 -0.402601D+01
      2   0.418222D+02 -0.621214D+02  0.356916D+02  0.730919D+01 -0.119317D+01
      3  -0.592634D+00  0.931195D+01 -0.330146D+02 -0.168247D+01  0.521918D+01
      4  -0.831209D+01  0.104459D+02 -0.715406D+01  0.724991D+02 -0.272321D+02
      5   0.805293D+01 -0.125468D+02 -0.126455D+00 -0.265230D+02  0.851970D+01
      6  -0.152070D+03  0.268528D+03 -0.323354D+02  0.208530D+01 -0.180925D+02
               301           302           303           304           305 
      1   0.188275D+01 -0.284989D+02  0.524104D+02 -0.114142D+02  0.958225D+01
      2  -0.820167D+00  0.410468D+02 -0.454528D+02 -0.266642D-01  0.461293D+02
      3  -0.106258D+01 -0.125479D+02 -0.695763D+01  0.114408D+02 -0.557115D+02
      4   0.364736D+02 -0.224119D+01  0.747918D+01  0.258732D+02 -0.111764D+01
      5  -0.107252D+02  0.317539D+01 -0.692090D+01 -0.328796D+02 -0.313585D+01
      6   0.106104D+02 -0.114831D+03  0.159114D+03 -0.182979D+02  0.583109D+02
               306           307           308           309           310 
      1  -0.562920D+02  0.255537D+00  0.264301D+01 -0.958887D+00  0.155128D+01
      2   0.155959D+02 -0.158382D+01 -0.501918D+01  0.142475D+01 -0.590732D+01
      3   0.406961D+02  0.132829D+01  0.237617D+01 -0.465863D+00  0.435604D+01
      4  -0.128928D+02  0.424172D+00 -0.553011D+01  0.454794D+01  0.973044D+01
      5   0.123125D+02 -0.170688D+00  0.172448D+01 -0.132829D+00 -0.171389D+01
      6  -0.223193D+03  0.342902D+01  0.300369D+01 -0.108282D+01  0.840155D+00
               311           312           313           314           315 
      1  -0.561790D+02  0.120402D+01  0.588057D-01 -0.826167D+01 -0.555225D+01
      2   0.145896D+03 -0.508333D+01 -0.791218D+00  0.338495D+02  0.779426D+01
      3  -0.897171D+02  0.387931D+01  0.732412D+00 -0.255878D+02 -0.224200D+01
      4  -0.855941D+01 -0.167646D-01  0.163125D+01 -0.312488D+00 -0.113548D+01
      5   0.325956D+00  0.445855D-02  0.133770D+01 -0.113452D+01  0.376033D+00
      6  -0.319852D+02  0.714457D+00 -0.110715D+01  0.112371D+02 -0.646756D+01
               316           317           318           319           320 
      1  -0.248699D+01 -0.586456D+01  0.848505D+01  0.856129D+00  0.855826D+01
      2  -0.686566D+01  0.220335D+00 -0.411113D+01  0.716162D+01 -0.806183D+02
      3   0.935265D+01  0.564422D+01 -0.437391D+01 -0.801775D+01  0.720600D+02
      4  -0.876118D+01  0.344246D+02 -0.381776D+02  0.805327D+01  0.341034D+01
      5   0.997597D+01 -0.298772D+02  0.501362D+02 -0.121840D+02 -0.127302D+01
      6  -0.492605D+02 -0.524285D+01  0.422635D+01  0.107078D+02 -0.145975D+02
               321           322           323           324           325 
      1   0.385611D+02  0.821550D+01  0.249073D+02  0.142363D+02  0.247724D+00
      2   0.628774D+02  0.328767D+01 -0.108621D+03  0.357669D+02  0.438859D+00
      3  -0.101439D+03 -0.115032D+02  0.837134D+02 -0.500031D+02 -0.686583D+00
      4   0.646531D+01 -0.400620D+02  0.153993D+01  0.828805D+01 -0.469273D+00
      5  -0.828981D+01  0.358968D+02  0.316507D+01 -0.100968D+02  0.566359D+00
      6   0.221142D+03  0.103363D+02  0.521457D+02  0.822987D+02  0.334944D+01
               326           327           328           329           330 
      1   0.481161D+01 -0.649924D+01  0.263999D+01 -0.315117D+02  0.316156D+02
      2  -0.109830D+01  0.153156D+00 -0.143357D+01  0.199322D+02 -0.150364D+02
      3  -0.371331D+01  0.634608D+01 -0.120642D+01  0.115796D+02 -0.165791D+02
      4  -0.138076D+01  0.314206D+01  0.518321D+01 -0.511320D+01  0.507263D+01
      5   0.204342D+01 -0.345060D+01 -0.392388D+01  0.497964D+01 -0.527169D+01
      6   0.936183D+01 -0.120894D+02  0.618499D+01 -0.586732D+02  0.593741D+02
               331           332           333           334           335 
      1  -0.410149D+01  0.376128D+02 -0.580722D+02  0.668530D+01  0.152981D+01
      2  -0.109310D+01 -0.412429D+01 -0.116501D+02 -0.243907D+02 -0.969380D+01
      3   0.519459D+01 -0.334885D+02  0.697223D+02  0.177054D+02  0.816399D+01
      4  -0.577183D+01  0.547159D+01 -0.784373D+01 -0.119616D+01  0.891644D+01
      5   0.842664D+01 -0.696739D+01  0.118609D+02  0.506780D+01 -0.117468D+02
      6  -0.985229D+01  0.721417D+02 -0.108776D+03 -0.268440D+02  0.154745D+01
               336           337           338           339           340 
      1   0.882945D+01  0.322662D+01 -0.239727D+02 -0.190339D+02  0.169843D+01
      2   0.483725D+01 -0.128891D+02  0.107656D+03 -0.107264D+03  0.371392D+01
      3  -0.136667D+02  0.966245D+01 -0.836833D+02  0.126298D+03 -0.541235D+01
      4  -0.294132D+02 -0.170535D+02 -0.508725D+01 -0.497417D+01 -0.952294D+00
      5   0.585307D+02  0.287307D+02  0.146483D+01  0.114502D+02  0.130912D+02
      6   0.183285D+02 -0.790383D+01 -0.388507D+02 -0.179779D+03  0.589097D+01
               341           342           343           344           345 
      1   0.302208D+02  0.120072D+02  0.983290D+00  0.403209D+00 -0.193522D+01
      2  -0.577247D+02  0.192743D+01 -0.129023D+01 -0.243534D+00 -0.173290D+01
      3   0.275039D+02 -0.139347D+02  0.306944D+00 -0.159675D+00  0.366812D+01
      4   0.281310D+01  0.699210D+01  0.512976D+00 -0.759211D+00  0.359654D+01
      5  -0.332601D+01 -0.684829D+01 -0.601270D+00  0.346100D+01 -0.548563D+01
      6   0.428441D+02  0.773688D+02  0.552870D+01  0.118066D+01 -0.767584D+00
               346           347           348           349           350 
      1  -0.116200D+00 -0.185228D+01 -0.481702D+01 -0.430604D+00 -0.150782D+01
      2  -0.121317D+01 -0.133004D+02 -0.205570D+02 -0.255156D+01 -0.122986D+02
      3   0.132937D+01  0.151527D+02  0.253740D+02  0.298217D+01  0.138064D+02
      4   0.969656D+00  0.733387D+00  0.944910D+00 -0.410839D+00  0.711115D+00
      5   0.279871D+01  0.483512D+00  0.152334D+01  0.653850D+01  0.365421D+00
      6   0.593889D+00  0.617955D+01  0.268046D+01 -0.112939D+01  0.860645D+01
               351 
      1  -0.182685D+02
      2  -0.416882D+02
      3   0.599567D+02
      4   0.952805D-01
      5   0.459669D+01
      6  -0.633659D+01
 Leave Link  716 at Tue Sep  7 02:24:49 2021, MaxMem=  8589934592 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.148941D+03 -0.101532D+02  0.000000D+00
      2  -0.101532D+02  0.312159D+03  0.000000D+00
      3   0.000000D+00  0.000000D+00  0.383181D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.409997D+02 -0.125719D+03  0.000000D+00
      2   0.327257D+02  0.213265D+02  0.000000D+00
      3   0.000000D+00  0.000000D+00 -0.250267D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.000000D+00  0.000000D+00 -0.228802D+03
      2   0.000000D+00  0.000000D+00  0.258742D+03
      3   0.000000D+00  0.000000D+00 -0.299398D+02
      4   0.000000D+00  0.000000D+00 -0.652444D+02
      5  -0.721489D+02 -0.400309D+02  0.000000D+00
      6  -0.846867D+02  0.551167D+03  0.000000D+00
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   117 ND12= 1 LenFil=    4215:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.000000D+00  0.000000D+00 -0.106538D+01  0.000000D+00  0.000000D+00
      2   0.000000D+00  0.272052D-05 -0.442734D+00  0.000000D+00  0.000000D+00
      3  -0.106538D+01 -0.442734D+00  0.000000D+00  0.353642D+00 -0.939018D+00
                 6             7             8             9            10 
      1   0.353642D+00 -0.235558D+00  0.157124D+01  0.000000D+00  0.154771D+00
      2  -0.939018D+00  0.157124D+01 -0.143416D+02  0.000000D+00 -0.164677D+01
      3   0.000000D+00  0.000000D+00  0.000000D+00 -0.172309D+02  0.622823D+00
                11            12            13            14            15 
      1  -0.164677D+01  0.622823D+00  0.145435D+00  0.746199D+00  0.145407D+01
      2   0.129933D+01 -0.465765D+00  0.746199D+00 -0.934180D+01 -0.422378D+01
      3  -0.465765D+00 -0.147561D+01  0.145407D+01 -0.422378D+01 -0.166236D+02
                16            17            18            19            20 
      1  -0.613630D+00  0.355982D+00 -0.230195D+01  0.785979D+00 -0.328228D+01
      2   0.355982D+00 -0.199632D+02  0.388741D+01 -0.328228D+01  0.188173D+01
      3  -0.230195D+01  0.388741D+01  0.258998D+02 -0.248109D+01  0.541529D+00
                21            22            23            24            25 
      1  -0.248109D+01 -0.151564D+01  0.555155D+01  0.807875D+01 -0.502944D+00
      2   0.541529D+00  0.555155D+01 -0.445685D+02 -0.552985D+02  0.191771D+01
      3  -0.405294D+01  0.807875D+01 -0.552985D+02 -0.759609D+02  0.401293D+01
                26            27            28            29            30 
      1   0.191771D+01  0.401293D+01 -0.785979D+00  0.328228D+01 -0.248109D+01
      2  -0.109716D+00 -0.125971D+02  0.328228D+01 -0.188174D+01  0.541528D+00
      3  -0.125971D+02 -0.241822D+02 -0.248109D+01  0.541528D+00  0.405294D+01
                31            32            33            34            35 
      1   0.151564D+01 -0.555155D+01  0.807875D+01 -0.502944D+00  0.191771D+01
      2  -0.555155D+01  0.445685D+02 -0.552985D+02  0.191771D+01 -0.109716D+00
      3   0.807875D+01 -0.552985D+02  0.759609D+02 -0.401293D+01  0.125971D+02
                36            37            38            39            40 
      1  -0.401293D+01 -0.154771D+00  0.164677D+01  0.622822D+00 -0.145435D+00
      2   0.125971D+02  0.164677D+01 -0.129933D+01 -0.465765D+00 -0.746199D+00
      3  -0.241822D+02  0.622822D+00 -0.465765D+00  0.147561D+01  0.145407D+01
                41            42            43            44            45 
      1  -0.746199D+00  0.145407D+01 -0.613630D+00  0.355982D+00  0.230195D+01
      2   0.934180D+01 -0.422378D+01  0.355982D+00 -0.199632D+02 -0.388741D+01
      3  -0.422378D+01  0.166236D+02  0.230195D+01 -0.388741D+01  0.258998D+02
                46            47            48            49            50 
      1  -0.967665D+00  0.110770D+01  0.732590D+01 -0.396077D+01 -0.666953D+00
      2   0.110770D+01 -0.137066D+01  0.768531D+00 -0.666953D+00  0.163692D+02
      3   0.732590D+01  0.768531D+00  0.340148D+01  0.314522D+01 -0.361016D+01
                51            52            53            54            55 
      1   0.314522D+01  0.840143D+00 -0.320239D+00  0.196978D+01  0.148350D+00
      2  -0.361016D+01 -0.320239D+00  0.152567D+02 -0.378451D+01 -0.489039D+00
      3  -0.377630D+02  0.196978D+01 -0.378451D+01 -0.136316D+02 -0.859055D+00
                56            57            58            59            60 
      1  -0.489039D+00 -0.859055D+00 -0.219966D+00 -0.974087D-01  0.198213D+00
      2  -0.189676D+00 -0.173941D-01 -0.974087D-01 -0.202897D+01  0.155241D+01
      3  -0.173941D-01 -0.565764D+00  0.198213D+00  0.155241D+01 -0.252348D+01
                61            62            63            64            65 
      1   0.651537D+00  0.398396D-02 -0.453922D+00 -0.158424D+01  0.431850D+01
      2   0.398396D-02  0.170424D+01 -0.133232D+01  0.431850D+01  0.316472D+00
      3  -0.453922D+00 -0.133232D+01  0.761149D+01  0.625837D+01  0.297079D+00
                66            67            68            69            70 
      1   0.625837D+01  0.223167D+01 -0.176467D-01 -0.335429D+01  0.444308D+01
      2   0.297079D+00 -0.176467D-01 -0.945127D+01  0.130979D+02 -0.719983D-01
      3  -0.658811D-01 -0.335429D+01  0.130979D+02  0.437513D+02  0.229116D+01
                71            72            73            74            75 
      1  -0.719983D-01  0.229116D+01 -0.304543D-02 -0.283580D+00 -0.574018D+00
      2   0.156324D+02 -0.171334D+01 -0.283580D+00 -0.711301D+00 -0.869117D+00
      3  -0.171334D+01 -0.177139D+02 -0.574018D+00 -0.869117D+00 -0.127170D+01
                76            77            78            79            80 
      1   0.390613D+00 -0.492328D+00 -0.499022D+00  0.635394D+00 -0.645404D+00
      2  -0.492328D+00  0.461337D+01  0.441983D+01 -0.645404D+00  0.485064D+01
      3  -0.499022D+00  0.441983D+01  0.466479D+01 -0.107675D+01  0.669336D+01
                81            82            83            84            85 
      1  -0.107675D+01 -0.104477D+01  0.783746D+01  0.304955D+01  0.427524D+01
      2   0.669336D+01  0.783746D+01 -0.878539D-01 -0.137353D+01 -0.109696D+01
      3   0.116512D+02  0.304955D+01 -0.137353D+01 -0.345793D+01 -0.220877D+01
                86            87            88            89            90 
      1  -0.109696D+01 -0.220877D+01 -0.236605D+01 -0.930490D+00 -0.419818D+01
      2   0.150386D+02  0.170520D+02 -0.930490D+00  0.225459D+00  0.212739D+02
      3   0.170520D+02  0.251433D+02 -0.419818D+01  0.212739D+02  0.423264D+02
                91            92            93            94            95 
      1   0.986951D-01 -0.682285D+00 -0.458793D+00  0.661616D+00 -0.623651D+00
      2  -0.682285D+00 -0.526024D+00 -0.207017D+00 -0.623651D+00  0.146531D+02
      3  -0.458793D+00 -0.207017D+00 -0.106346D+00  0.110385D+00 -0.984959D-01
                96            97            98            99           100 
      1   0.110385D+00 -0.422126D-01  0.135646D-01 -0.152544D+00  0.722314D+00
      2  -0.984959D-01  0.135646D-01 -0.324744D+01  0.140017D+01  0.182935D+00
      3  -0.125666D+01 -0.152544D+00  0.140017D+01  0.973673D+00 -0.297164D+01
               101           102           103           104           105 
      1   0.182935D+00 -0.297164D+01 -0.205960D+01  0.172069D+01  0.169988D+01
      2   0.265031D+01  0.349270D+01  0.172069D+01 -0.154152D+02 -0.197416D+02
      3   0.349270D+01  0.556486D+01  0.169988D+01 -0.197416D+02 -0.141852D+02
               106           107           108           109           110 
      1  -0.327467D-02  0.266946D+01  0.434166D+01  0.333963D+00  0.173854D+01
      2   0.266946D+01 -0.247471D+02 -0.314033D+02  0.173854D+01 -0.260273D+01
      3   0.434166D+01 -0.314033D+02 -0.465305D+02 -0.307917D+01 -0.147723D+00
               111           112           113           114           115 
      1  -0.307917D+01  0.107040D+01 -0.484971D+01 -0.664625D+01 -0.244914D+01
      2  -0.147723D+00 -0.484971D+01  0.393956D+02  0.534934D+02 -0.110945D+01
      3   0.149321D+01 -0.664625D+01  0.534934D+02  0.730091D+02 -0.172736D+01
               116           117           118           119           120 
      1  -0.110945D+01 -0.172736D+01  0.125569D+00  0.830452D+00 -0.140751D+00
      2   0.158546D+02  0.183330D+02  0.830452D+00 -0.137950D+00 -0.105019D+01
      3   0.183330D+02  0.213091D+02 -0.140751D+00 -0.105019D+01 -0.150009D+01
               121           122           123           124           125 
      1   0.632282D+00  0.345653D+00 -0.112565D+00 -0.247904D+00 -0.303646D+00
      2   0.345653D+00  0.519550D+01 -0.453147D+01 -0.303646D+00 -0.178522D+01
      3  -0.112565D+00 -0.453147D+01  0.362448D+01 -0.232747D+00  0.539805D+01
               126           127           128           129           130 
      1  -0.232747D+00 -0.814037D+01  0.386238D+01  0.464364D+01  0.214235D+01
      2   0.539805D+01  0.386238D+01 -0.253703D-01 -0.734476D+01 -0.722204D+00
      3  -0.111499D+01  0.464364D+01 -0.734476D+01 -0.101879D+02 -0.243127D+01
               131           132           133           134           135 
      1  -0.722204D+00 -0.243127D+01  0.158936D+01 -0.285704D+01 -0.398164D+01
      2   0.737760D+01  0.520310D+01 -0.285704D+01  0.559958D+01  0.907191D+01
      3   0.520310D+01  0.460165D+01 -0.398164D+01  0.907191D+01  0.246542D+02
               136           137           138           139           140 
      1   0.773413D+01 -0.228412D+01 -0.567082D+01 -0.688866D+00  0.119698D+01
      2  -0.228412D+01  0.176766D+01  0.544214D+01  0.119698D+01 -0.268294D+01
      3  -0.567082D+01  0.544214D+01  0.119258D+02  0.307434D+00 -0.135931D+01
               141           142           143           144           145 
      1   0.307434D+00 -0.345193D+00  0.467298D+00  0.185590D+01  0.622777D+01
      2  -0.135931D+01  0.467298D+00 -0.580853D+00 -0.160631D+01 -0.219278D+01
      3  -0.295749D+00  0.185590D+01 -0.160631D+01 -0.639842D+01 -0.214683D-01
               146           147           148           149           150 
      1  -0.219278D+01 -0.214683D-01 -0.137120D+01 -0.241442D+01  0.202049D+00
      2  -0.338742D+01  0.155502D+01 -0.241442D+01 -0.295977D+01  0.852518D+00
      3   0.155502D+01 -0.245810D+01  0.202049D+00  0.852518D+00  0.763377D+01
               151           152           153           154           155 
      1  -0.287509D+00  0.216839D+00 -0.108835D+01  0.663558D+00  0.183770D+01
      2   0.216839D+00  0.544646D+00  0.305288D+01  0.183770D+01  0.258962D+01
      3  -0.108835D+01  0.305288D+01 -0.503010D+01 -0.555660D+00 -0.855221D+00
               156           157           158           159           160 
      1  -0.555660D+00  0.120359D+01  0.180990D+01 -0.327174D+00 -0.111692D+00
      2  -0.855221D+00  0.180990D+01  0.800124D+01 -0.232829D+01 -0.158166D+00
      3   0.212116D+01 -0.327174D+00 -0.232829D+01  0.236351D+01  0.790697D+00
               161           162           163           164           165 
      1  -0.158166D+00  0.790697D+00 -0.662942D+01  0.183002D+01 -0.135780D+01
      2  -0.524983D+00  0.160487D+01  0.183002D+01 -0.145088D+01  0.503597D+00
      3   0.160487D+01 -0.269992D+00 -0.135780D+01  0.503597D+00 -0.300927D+01
               166           167           168           169           170 
      1   0.830912D+00 -0.996789D+00  0.387368D+00 -0.186264D-01 -0.375354D-01
      2  -0.996789D+00  0.140250D+01 -0.574607D+00 -0.375354D-01 -0.677663D-01
      3   0.387368D+00 -0.574607D+00 -0.880880D+00 -0.111066D+01  0.257768D+00
               171           172           173           174           175 
      1  -0.111066D+01 -0.712912D+01 -0.417736D+00  0.194535D+01  0.204829D+00
      2   0.257768D+00 -0.417736D+00  0.239705D+01 -0.885118D+00  0.179308D+01
      3   0.457996D+00  0.194535D+01 -0.885118D+00  0.478912D+01 -0.618790D+00
               176           177           178           179           180 
      1   0.179308D+01 -0.618790D+00  0.680756D+00 -0.277152D+00  0.256758D+01
      2   0.155103D+01  0.752480D+00 -0.277152D+00  0.981690D+00 -0.647758D+01
      3   0.752480D+00 -0.873716D+01  0.256758D+01 -0.647758D+01  0.333442D+01
               181           182           183           184           185 
      1   0.800170D+01  0.897262D+00 -0.308408D+01 -0.870945D-01  0.850410D+00
      2   0.897262D+00  0.133151D+01 -0.207835D+00  0.850410D+00 -0.205575D+00
      3  -0.308408D+01 -0.207835D+00  0.312364D+01 -0.426377D-01 -0.587976D+00
               186           187           188           189           190 
      1  -0.426377D-01 -0.778372D+00 -0.548480D-01  0.138255D+01 -0.250919D+00
      2  -0.587976D+00 -0.548480D-01 -0.150087D+00  0.849036D+00  0.819211D+00
      3   0.742442D+00  0.138255D+01  0.849036D+00 -0.138271D+01 -0.205860D+01
               191           192           193           194           195 
      1   0.819211D+00 -0.205860D+01  0.522984D+00 -0.751295D+00  0.480581D+00
      2  -0.131322D+01  0.104445D+01 -0.751295D+00  0.270525D+01 -0.359987D+01
      3   0.104445D+01 -0.417919D+01  0.480581D+00 -0.359987D+01  0.626855D+01
               196           197           198           199           200 
      1  -0.955946D+00  0.335502D+00 -0.146710D+01  0.712912D+01  0.417736D+00
      2   0.335502D+00 -0.230289D+01  0.430175D+01  0.417736D+00 -0.239705D+01
      3  -0.146710D+01  0.430175D+01 -0.133485D+02  0.194535D+01 -0.885118D+00
               201           202           203           204           205 
      1   0.194535D+01 -0.204829D+00 -0.179308D+01 -0.618790D+00  0.680756D+00
      2  -0.885118D+00 -0.179308D+01 -0.155103D+01  0.752481D+00 -0.277152D+00
      3  -0.478912D+01 -0.618790D+00  0.752481D+00  0.873716D+01 -0.256758D+01
               206           207           208           209           210 
      1  -0.277152D+00 -0.256758D+01  0.250919D+00 -0.819211D+00 -0.205860D+01
      2   0.981690D+00  0.647758D+01 -0.819211D+00  0.131322D+01  0.104445D+01
      3   0.647758D+01  0.333442D+01 -0.205860D+01  0.104445D+01  0.417919D+01
               211           212           213           214           215 
      1  -0.522984D+00  0.751295D+00  0.480581D+00 -0.955946D+00  0.335502D+00
      2   0.751295D+00 -0.270525D+01 -0.359987D+01  0.335502D+00 -0.230289D+01
      3   0.480581D+00 -0.359987D+01 -0.626855D+01  0.146710D+01 -0.430175D+01
               216           217           218           219           220 
      1   0.146710D+01 -0.800170D+01 -0.897262D+00 -0.308408D+01  0.870944D-01
      2  -0.430175D+01 -0.897262D+00 -0.133151D+01 -0.207835D+00 -0.850410D+00
      3  -0.133485D+02 -0.308408D+01 -0.207835D+00 -0.312364D+01 -0.426377D-01
               221           222           223           224           225 
      1  -0.850410D+00 -0.426377D-01 -0.778372D+00 -0.548480D-01 -0.138255D+01
      2   0.205575D+00 -0.587976D+00 -0.548480D-01 -0.150087D+00 -0.849036D+00
      3  -0.587976D+00 -0.742442D+00 -0.138255D+01 -0.849036D+00 -0.138271D+01
               226           227           228           229           230 
      1  -0.622777D+01  0.219278D+01 -0.214685D-01  0.137120D+01  0.241442D+01
      2   0.219278D+01  0.338742D+01  0.155502D+01  0.241442D+01  0.295977D+01
      3  -0.214685D-01  0.155502D+01  0.245810D+01  0.202049D+00  0.852518D+00
               231           232           233           234           235 
      1   0.202049D+00 -0.287509D+00  0.216839D+00  0.108835D+01  0.662942D+01
      2   0.852518D+00  0.216839D+00  0.544646D+00 -0.305288D+01 -0.183002D+01
      3  -0.763377D+01  0.108835D+01 -0.305288D+01 -0.503009D+01 -0.135780D+01
               236           237           238           239           240 
      1  -0.183002D+01 -0.135780D+01 -0.830912D+00  0.996789D+00  0.387368D+00
      2   0.145088D+01  0.503597D+00  0.996789D+00 -0.140250D+01 -0.574607D+00
      3   0.503597D+00  0.300927D+01  0.387368D+00 -0.574607D+00  0.880880D+00
               241           242           243           244           245 
      1  -0.186264D-01 -0.375355D-01  0.111066D+01 -0.663557D+00 -0.183770D+01
      2  -0.375355D-01 -0.677663D-01 -0.257768D+00 -0.183770D+01 -0.258962D+01
      3   0.111066D+01 -0.257768D+00  0.457996D+00 -0.555660D+00 -0.855221D+00
               246           247           248           249           250 
      1  -0.555660D+00 -0.120359D+01 -0.180990D+01 -0.327174D+00 -0.111692D+00
      2  -0.855221D+00 -0.180990D+01 -0.800124D+01 -0.232829D+01 -0.158166D+00
      3  -0.212116D+01 -0.327174D+00 -0.232829D+01 -0.236351D+01 -0.790697D+00
               251           252           253           254           255 
      1  -0.158166D+00 -0.790697D+00  0.814037D+01 -0.386238D+01  0.464364D+01
      2  -0.524983D+00 -0.160487D+01 -0.386238D+01  0.253703D-01 -0.734476D+01
      3  -0.160487D+01 -0.269992D+00  0.464364D+01 -0.734476D+01  0.101879D+02
               256           257           258           259           260 
      1  -0.214235D+01  0.722203D+00 -0.243127D+01  0.158936D+01 -0.285704D+01
      2   0.722203D+00 -0.737761D+01  0.520310D+01 -0.285704D+01  0.559958D+01
      3  -0.243127D+01  0.520310D+01 -0.460165D+01  0.398164D+01 -0.907191D+01
               261           262           263           264           265 
      1   0.398164D+01 -0.773413D+01  0.228412D+01 -0.567082D+01  0.688866D+00
      2  -0.907191D+01  0.228412D+01 -0.176766D+01  0.544214D+01 -0.119698D+01
      3   0.246542D+02 -0.567082D+01  0.544214D+01 -0.119258D+02  0.307434D+00
               266           267           268           269           270 
      1  -0.119698D+01  0.307434D+00 -0.345193D+00  0.467298D+00 -0.185590D+01
      2   0.268294D+01 -0.135931D+01  0.467298D+00 -0.580853D+00  0.160631D+01
      3  -0.135931D+01  0.295749D+00 -0.185590D+01  0.160631D+01 -0.639842D+01
               271           272           273           274           275 
      1  -0.333963D+00 -0.173854D+01 -0.307917D+01 -0.107040D+01  0.484971D+01
      2  -0.173854D+01  0.260273D+01 -0.147722D+00  0.484971D+01 -0.393956D+02
      3  -0.307917D+01 -0.147722D+00 -0.149321D+01 -0.664625D+01  0.534934D+02
               276           277           278           279           280 
      1  -0.664625D+01 -0.244914D+01 -0.110945D+01  0.172736D+01 -0.125569D+00
      2   0.534934D+02 -0.110945D+01  0.158546D+02 -0.183330D+02 -0.830452D+00
      3  -0.730091D+02  0.172736D+01 -0.183330D+02  0.213091D+02 -0.140751D+00
               281           282           283           284           285 
      1  -0.830452D+00 -0.140751D+00 -0.632282D+00 -0.345653D+00 -0.112565D+00
      2   0.137950D+00 -0.105019D+01 -0.345653D+00 -0.519550D+01 -0.453147D+01
      3  -0.105019D+01  0.150009D+01 -0.112565D+00 -0.453147D+01 -0.362447D+01
               286           287           288           289           290 
      1  -0.247904D+00 -0.303646D+00  0.232747D+00 -0.722314D+00 -0.182935D+00
      2  -0.303646D+00 -0.178522D+01 -0.539805D+01 -0.182935D+00 -0.265031D+01
      3   0.232747D+00 -0.539805D+01 -0.111499D+01 -0.297164D+01  0.349270D+01
               291           292           293           294           295 
      1  -0.297164D+01  0.205960D+01 -0.172069D+01  0.169988D+01 -0.327492D-02
      2   0.349270D+01 -0.172069D+01  0.154152D+02 -0.197416D+02  0.266946D+01
      3  -0.556486D+01  0.169988D+01 -0.197416D+02  0.141852D+02 -0.434166D+01
               296           297           298           299           300 
      1   0.266946D+01 -0.434166D+01  0.104477D+01 -0.783746D+01  0.304955D+01
      2  -0.247471D+02  0.314033D+02 -0.783746D+01  0.878533D-01 -0.137353D+01
      3   0.314033D+02 -0.465305D+02  0.304955D+01 -0.137353D+01  0.345793D+01
               301           302           303           304           305 
      1  -0.427524D+01  0.109696D+01 -0.220877D+01 -0.236605D+01 -0.930490D+00
      2   0.109696D+01 -0.150386D+02  0.170520D+02 -0.930490D+00  0.225459D+00
      3  -0.220877D+01  0.170520D+02 -0.251433D+02  0.419818D+01 -0.212739D+02
               306           307           308           309           310 
      1   0.419818D+01 -0.986950D-01  0.682285D+00 -0.458793D+00 -0.661616D+00
      2  -0.212739D+02  0.682285D+00  0.526024D+00 -0.207017D+00  0.623651D+00
      3   0.423264D+02 -0.458793D+00 -0.207017D+00  0.106346D+00  0.110385D+00
               311           312           313           314           315 
      1   0.623651D+00  0.110385D+00 -0.422126D-01  0.135646D-01  0.152544D+00
      2  -0.146531D+02 -0.984960D-01  0.135646D-01 -0.324744D+01 -0.140017D+01
      3  -0.984960D-01  0.125666D+01  0.152544D+00 -0.140017D+01  0.973673D+00
               316           317           318           319           320 
      1   0.158424D+01 -0.431850D+01  0.625837D+01 -0.223167D+01  0.176467D-01
      2  -0.431850D+01 -0.316472D+00  0.297079D+00  0.176467D-01  0.945127D+01
      3   0.625837D+01  0.297079D+00  0.658821D-01 -0.335429D+01  0.130979D+02
               321           322           323           324           325 
      1  -0.335429D+01  0.444308D+01 -0.719984D-01 -0.229116D+01  0.304536D-02
      2   0.130979D+02 -0.719984D-01  0.156324D+02  0.171334D+01  0.283580D+00
      3  -0.437513D+02 -0.229116D+01  0.171334D+01 -0.177139D+02 -0.574018D+00
               326           327           328           329           330 
      1   0.283580D+00 -0.574018D+00 -0.390613D+00  0.492328D+00 -0.499022D+00
      2   0.711301D+00 -0.869117D+00  0.492328D+00 -0.461337D+01  0.441983D+01
      3  -0.869117D+00  0.127170D+01 -0.499022D+00  0.441983D+01 -0.466479D+01
               331           332           333           334           335 
      1   0.635394D+00 -0.645404D+00  0.107675D+01  0.967666D+00 -0.110771D+01
      2  -0.645404D+00  0.485064D+01 -0.669336D+01 -0.110771D+01  0.137066D+01
      3   0.107675D+01 -0.669336D+01  0.116512D+02  0.732590D+01  0.768531D+00
               336           337           338           339           340 
      1   0.732590D+01  0.396077D+01  0.666954D+00  0.314522D+01  0.840143D+00
      2   0.768531D+00  0.666954D+00 -0.163692D+02 -0.361016D+01 -0.320239D+00
      3  -0.340148D+01  0.314522D+01 -0.361016D+01  0.377630D+02 -0.196978D+01
               341           342           343           344           345 
      1  -0.320239D+00 -0.196978D+01 -0.148350D+00  0.489039D+00 -0.859054D+00
      2   0.152567D+02  0.378451D+01  0.489039D+00  0.189676D+00 -0.173940D-01
      3   0.378451D+01 -0.136316D+02 -0.859054D+00 -0.173940D-01  0.565764D+00
               346           347           348           349           350 
      1   0.219966D+00  0.974088D-01  0.198213D+00  0.651537D+00  0.398393D-02
      2   0.974088D-01  0.202897D+01  0.155241D+01  0.398393D-02  0.170424D+01
      3   0.198213D+00  0.155241D+01  0.252348D+01  0.453922D+00  0.133232D+01
               351 
      1   0.453922D+00
      2   0.133232D+01
      3   0.761149D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.123918D-03  0.238756D-03  0.987177D+01  0.225046D-03  0.152669D-03
      2   0.153304D-03  0.974730D-04  0.203881D+02 -0.657859D-04 -0.266276D-03
      3   0.679870D+00 -0.550904D+02 -0.484636D-04 -0.967303D+01  0.977103D+01
                 6             7             8             9            10 
      1  -0.158841D+02 -0.269353D+01  0.109297D+03 -0.109154D-02 -0.379164D+01
      2   0.121844D+01  0.190581D+01 -0.140415D+02 -0.310521D-03 -0.384561D+01
      3   0.343483D-04 -0.231643D-04 -0.187350D-03 -0.188540D+01 -0.583860D+00
                11            12            13            14            15 
      1   0.861959D-01  0.747126D+00 -0.613412D+01 -0.387247D+02  0.173141D+03
      2   0.420178D+02  0.198280D+02 -0.182207D+01 -0.147932D+01  0.478479D+01
      3  -0.156171D+02  0.278586D+02  0.810840D+01 -0.163054D+01  0.388633D+01
                16            17            18            19            20 
      1   0.254588D+02 -0.271635D+03 -0.258436D+03  0.181596D+02 -0.208982D+01
      2   0.411666D+01 -0.462297D+01 -0.344361D+01  0.329488D+01 -0.685080D+02
      3   0.174062D+01  0.500062D+00 -0.654087D+01  0.488164D+01 -0.232939D+02
                21            22            23            24            25 
      1   0.120681D+02 -0.290542D+02  0.975226D+02  0.465102D+03 -0.291447D+02
      2  -0.182431D+02 -0.982841D+01 -0.138130D+02  0.683474D+00 -0.112061D+02
      3  -0.625515D+02  0.884375D+01 -0.637131D+01 -0.313509D+01  0.149881D+01
                26            27            28            29            30 
      1   0.214888D+03  0.181411D+03 -0.181595D+02  0.208987D+01  0.120679D+02
      2   0.463704D+01 -0.245516D+00 -0.329483D+01  0.685080D+02 -0.182431D+02
      3   0.146418D+01 -0.460115D+01  0.488166D+01 -0.232939D+02  0.625515D+02
                31            32            33            34            35 
      1   0.290542D+02 -0.975226D+02  0.465102D+03 -0.291447D+02  0.214888D+03
      2   0.982842D+01  0.138130D+02  0.683503D+00 -0.112061D+02  0.463707D+01
      3   0.884370D+01 -0.637132D+01  0.313510D+01 -0.149886D+01 -0.146421D+01
                36            37            38            39            40 
      1  -0.181411D+03  0.379163D+01 -0.861429D-01  0.747260D+00  0.613410D+01
      2   0.245519D+00  0.384561D+01 -0.420178D+02  0.198280D+02  0.182206D+01
      3  -0.460114D+01 -0.583851D+00 -0.156171D+02 -0.278586D+02  0.810841D+01
                41            42            43            44            45 
      1   0.387248D+02  0.173141D+03  0.254588D+02 -0.271635D+03  0.258436D+03
      2   0.147931D+01  0.478480D+01  0.411665D+01 -0.462297D+01  0.344359D+01
      3  -0.163052D+01 -0.388632D+01 -0.174061D+01 -0.500023D+00 -0.654088D+01
                46            47            48            49            50 
      1  -0.381666D+02 -0.385685D+01 -0.154761D+02 -0.172451D+02  0.185170D+02
      2   0.164477D+01 -0.889468D+01 -0.215513D+02  0.132103D+02  0.165723D+01
      3  -0.625479D+00 -0.533508D+01  0.476840D+01 -0.784703D+01 -0.765898D+00
                51            52            53            54            55 
      1   0.233929D+03 -0.138201D+02  0.105798D+03  0.117332D+03  0.618869D+01
      2   0.276605D+01 -0.703451D+01  0.225924D+01  0.666335D+00 -0.413803D+00
      3   0.383161D+01  0.120086D+01 -0.171993D+00  0.472903D+01 -0.328087D+00
                56            57            58            59            60 
      1   0.377495D+00 -0.563987D+00 -0.449570D+00 -0.275314D+02  0.242018D+02
      2   0.236325D+01  0.488901D+01  0.180295D+01 -0.815503D+00  0.495519D+00
      3   0.309824D+00  0.677614D+01  0.950426D+00 -0.584581D+00  0.998994D+00
                61            62            63            64            65 
      1   0.264575D+01  0.150192D+02 -0.307630D+02 -0.172546D+02  0.356668D+01
      2  -0.338332D+01  0.478286D+00  0.162806D-01  0.279686D+01 -0.184659D+02
      3  -0.408161D+00  0.352963D+00 -0.923017D+00 -0.321472D+01  0.254484D+01
                66            67            68            69            70 
      1   0.518339D+01  0.206097D+02 -0.116698D+03 -0.257928D+03 -0.106103D+02
      2  -0.848686D+01 -0.458050D+01 -0.256068D+01 -0.255635D+01 -0.179799D+02
      3   0.154095D+02  0.235635D+01 -0.130329D+01 -0.666954D+01  0.199053D+02
                71            72            73            74            75 
      1   0.472305D+02  0.115476D+03  0.274999D+01  0.509740D+00  0.166071D+01
      2  -0.452983D+00 -0.148987D+01  0.316503D+00  0.422035D+01  0.398211D+01
      3   0.126475D+01  0.444229D+01 -0.192371D+00 -0.310890D+01 -0.327880D+01
                76            77            78            79            80 
      1   0.377161D+00 -0.173479D+01 -0.313919D+01  0.214409D+01 -0.596727D+01
      2  -0.251108D+01  0.531869D+00  0.439452D+00 -0.484495D+01  0.629287D+00
      3   0.267009D+01 -0.349072D+00 -0.653175D+00  0.377106D+01 -0.834585D+00
                81            82            83            84            85 
      1  -0.240612D+02  0.144484D+01  0.900420D+01  0.145033D+02  0.918385D+01
      2   0.559795D+00 -0.127267D+01 -0.296302D+01  0.247795D+02 -0.590857D+01
      3  -0.188310D+01 -0.225533D+01  0.261945D+02  0.171168D+02  0.168845D+02
                86            87            88            89            90 
      1  -0.603974D+02 -0.120562D+03  0.193041D+02 -0.141032D+03 -0.201609D+03
      2   0.179085D+01  0.149555D+01  0.182910D+02  0.309858D+01  0.569829D+01
      3   0.932515D+00 -0.174988D+01 -0.138801D+02 -0.843727D+00 -0.589015D+01
                91            92            93            94            95 
      1   0.827028D+00  0.344708D+00  0.626720D+00 -0.195076D+01  0.275459D+02
      2  -0.121041D+00  0.113267D-01  0.323144D-01 -0.559445D+00  0.159761D+01
      3   0.508974D+00 -0.776804D+01 -0.510209D+01  0.604967D+01  0.318849D+00
                96            97            98            99           100 
      1   0.635406D+01  0.576605D+00 -0.865575D+01 -0.915194D+00  0.997259D+01
      2  -0.795288D-01 -0.388735D+00 -0.479654D+00  0.156627D+00  0.446546D+00
      3   0.207013D-01 -0.133486D+01 -0.939324D+00 -0.567010D+00  0.922772D+00
               101           102           103           104           105 
      1  -0.110825D+02 -0.220631D+02  0.126287D+01  0.545222D+02 -0.448946D+02
      2  -0.381177D+01  0.174729D+02 -0.940323D+00 -0.598446D+01 -0.659343D+01
      3   0.639385D+00 -0.912676D+01 -0.735487D+01  0.601620D+00 -0.217969D+01
               106           107           108           109           110 
      1  -0.193943D+02  0.163543D+03  0.304504D+03  0.124288D+02  0.931137D+01
      2  -0.149021D+02 -0.599635D+01 -0.211973D+00 -0.278701D+01  0.287459D+02
      3   0.680835D+01  0.198543D+00  0.485918D+01  0.371313D+01 -0.194327D+02
               111           112           113           114           115 
      1  -0.264897D+01  0.396136D+02 -0.326744D+03 -0.491639D+03  0.186401D+01
      2   0.401491D+02  0.617991D+01  0.964168D+01  0.948746D+00  0.135841D+02
      3  -0.269928D+02 -0.619366D+01 -0.191463D+01 -0.674551D+01 -0.149122D+02
               116           117           118           119           120 
      1  -0.482764D+02 -0.127529D+03  0.690230D+00  0.122676D+01  0.645363D+01
      2   0.496862D+01  0.308599D+01 -0.341243D+00  0.975750D+01  0.596876D+00
      3   0.153744D+01 -0.123422D+00  0.731662D-01  0.354129D+01  0.943737D+01
               121           122           123           124           125 
      1   0.456817D+00  0.101667D+02 -0.157498D+02  0.179418D+01 -0.270490D+02
      2   0.254543D+01  0.194232D+00 -0.431515D+00 -0.212569D+01  0.101749D+01
      3   0.409912D+01  0.984510D+00 -0.963984D+00 -0.265324D+01 -0.465091D+00
               126           127           128           129           130 
      1  -0.159322D+01 -0.280203D+02  0.526649D+01  0.476273D+02  0.944991D+01
      2   0.993428D-01 -0.180391D+02  0.217996D+02  0.237079D+02  0.677699D+01
      3   0.737602D+00 -0.691358D+01  0.667537D+01  0.151574D+02  0.294976D+01
               131           132           133           134           135 
      1  -0.851610D+02 -0.546563D+02  0.229036D+02 -0.470064D+02 -0.121457D+03
      2   0.568766D+00 -0.487472D+01  0.419108D+01  0.415278D+01  0.707158D+01
      3  -0.105442D+01 -0.720525D-01 -0.370424D+00  0.177571D+01  0.577058D+01
               136           137           138           139           140 
      1   0.191513D+02 -0.145064D+02 -0.481629D+02 -0.466898D+01  0.189007D+02
      2   0.161524D+02 -0.308463D+01 -0.310163D+01 -0.131070D+01 -0.119211D+01
      3   0.588256D+01 -0.457294D+01 -0.339791D+01  0.631815D-01  0.301551D+01
               141           142           143           144           145 
      1   0.189541D+01 -0.510203D+01  0.128405D+02  0.252482D+02  0.883579D+01
      2  -0.651287D+00 -0.158324D+01 -0.239123D+01  0.142211D+00  0.213456D+02
      3   0.276640D+01  0.233727D+00 -0.140183D-01  0.632405D+00  0.107323D+02
               146           147           148           149           150 
      1   0.125626D+02 -0.721904D+01  0.123797D+02  0.123084D+02 -0.197103D+02
      2  -0.601192D+01  0.604709D+01 -0.571093D+01 -0.334859D+01  0.438970D+01
      3  -0.742159D+01  0.376451D+01 -0.102204D+01 -0.381382D+01  0.253324D+01
               151           152           153           154           155 
      1   0.891468D+00 -0.355910D+01 -0.312200D+01 -0.696040D+01 -0.106280D+02
      2  -0.335466D+01  0.264257D+01 -0.758093D+01  0.201095D+01  0.595171D+01
      3   0.148813D+00  0.928405D+00 -0.280184D+01  0.175138D+01  0.315820D+01
               156           157           158           159           160 
      1  -0.147140D+01 -0.737235D+01 -0.332780D+02  0.136087D+01 -0.106991D+01
      2  -0.327813D-01  0.432606D+01  0.568039D+01 -0.750801D+00 -0.932615D+00
      3  -0.144478D+01  0.523272D+01  0.421616D+01 -0.110320D+01 -0.400439D+00
               161           162           163           164           165 
      1  -0.208295D+01 -0.107115D+02 -0.526706D+01  0.536803D+01  0.569199D+01
      2  -0.799518D+00  0.314488D+01 -0.226880D+02  0.670566D+01 -0.147555D+00
      3  -0.597698D+00  0.115255D+01 -0.126398D+02  0.990370D-01 -0.226624D+01
               166           167           168           169           170 
      1   0.348073D+01 -0.545334D+01  0.253426D+01  0.234094D+01  0.416069D+00
      2   0.282640D+01 -0.366389D+01  0.115902D+01 -0.892537D+00 -0.814966D-01
      3   0.206844D+01 -0.138373D+01  0.561201D+00  0.138327D+00  0.305523D+00
               171           172           173           174           175 
      1  -0.453435D+01  0.245668D+00 -0.112440D+02  0.601155D+00 -0.973144D+01
      2  -0.400379D+01 -0.346562D+02 -0.207469D+01  0.157635D+02  0.150393D+01
      3  -0.961619D+00 -0.581226D+01 -0.402507D+01  0.271521D+01  0.160812D+01
               176           177           178           179           180 
      1  -0.140892D+02 -0.130203D+00 -0.826343D+00  0.574913D+01  0.359613D+02
      2   0.885984D+01 -0.577495D+01  0.214203D+01 -0.304663D+01  0.156060D+02
      3   0.161213D+01 -0.240673D+01  0.664141D+00 -0.917408D+00  0.495973D+01
               181           182           183           184           185 
      1  -0.236106D+01 -0.805915D+01 -0.165094D+01 -0.431122D+01  0.250536D+01
      2   0.382769D+02  0.427876D+01 -0.101069D+02 -0.675969D+00  0.380747D+01
      3   0.692050D+01 -0.295974D+01 -0.281140D+01  0.645996D+00  0.112412D+01
               186           187           188           189           190 
      1   0.591512D+00 -0.832291D+00  0.278906D+00 -0.386448D+01 -0.247519D+01
      2   0.642472D-01 -0.381532D+01  0.548291D+00  0.651982D+01 -0.186989D+01
      3   0.410526D+00 -0.528601D+00  0.878131D-01  0.550167D+00 -0.624400D+00
               191           192           193           194           195 
      1   0.741963D+01 -0.842734D+00  0.374400D+01 -0.121104D+02  0.114746D+02
      2   0.389802D+01 -0.100054D+02  0.362030D+01 -0.430703D+01  0.387675D+01
      3  -0.121054D+00 -0.249527D+01  0.197054D+01 -0.105866D+01  0.161053D+01
               196           197           198           199           200 
      1  -0.318623D+00  0.128878D+02 -0.946697D+01 -0.245697D+00  0.112440D+02
      2  -0.808221D+01  0.299793D+01 -0.101620D+02  0.346562D+02  0.207469D+01
      3  -0.193590D+01  0.106682D+01 -0.259846D+01 -0.581226D+01 -0.402507D+01
               201           202           203           204           205 
      1   0.601167D+00  0.973145D+01  0.140892D+02 -0.130191D+00 -0.826336D+00
      2   0.157635D+02 -0.150391D+01 -0.885982D+01 -0.577495D+01  0.214205D+01
      3  -0.271521D+01  0.160813D+01  0.161214D+01  0.240673D+01 -0.664143D+00
               206           207           208           209           210 
      1   0.574914D+01 -0.359613D+02  0.247519D+01 -0.741962D+01 -0.842733D+00
      2  -0.304662D+01 -0.156060D+02  0.186990D+01 -0.389802D+01 -0.100054D+02
      3   0.917393D+00  0.495972D+01 -0.624400D+00 -0.121054D+00  0.249527D+01
               211           212           213           214           215 
      1  -0.374400D+01  0.121104D+02  0.114746D+02 -0.318622D+00  0.128878D+02
      2  -0.362030D+01  0.430703D+01  0.387675D+01 -0.808221D+01  0.299793D+01
      3   0.197054D+01 -0.105866D+01 -0.161053D+01  0.193590D+01 -0.106681D+01
               216           217           218           219           220 
      1   0.946696D+01  0.236106D+01  0.805915D+01 -0.165092D+01  0.431122D+01
      2   0.101620D+02 -0.382769D+02 -0.427876D+01 -0.101069D+02  0.675964D+00
      3  -0.259846D+01  0.692050D+01 -0.295974D+01  0.281140D+01  0.645996D+00
               221           222           223           224           225 
      1  -0.250537D+01  0.591517D+00 -0.832293D+00  0.278903D+00  0.386449D+01
      2  -0.380748D+01  0.642462D-01 -0.381533D+01  0.548289D+00 -0.651981D+01
      3   0.112412D+01 -0.410526D+00  0.528599D+00 -0.878128D-01  0.550165D+00
               226           227           228           229           230 
      1  -0.883577D+01 -0.125626D+02 -0.721903D+01 -0.123798D+02 -0.123084D+02
      2  -0.213456D+02  0.601192D+01  0.604709D+01  0.571094D+01  0.334860D+01
      3   0.107323D+02 -0.742160D+01 -0.376450D+01 -0.102204D+01 -0.381384D+01
               231           232           233           234           235 
      1  -0.197103D+02  0.891438D+00 -0.355909D+01  0.312199D+01  0.526707D+01
      2   0.438971D+01 -0.335468D+01  0.264255D+01  0.758091D+01  0.226879D+02
      3  -0.253323D+01 -0.148822D+00 -0.928392D+00 -0.280182D+01 -0.126398D+02
               236           237           238           239           240 
      1  -0.536802D+01  0.569199D+01 -0.348073D+01  0.545335D+01  0.253425D+01
      2  -0.670566D+01 -0.147549D+00 -0.282640D+01  0.366389D+01  0.115902D+01
      3   0.990342D-01  0.226624D+01  0.206843D+01 -0.138372D+01 -0.561200D+00
               241           242           243           244           245 
      1   0.234095D+01  0.416070D+00  0.453435D+01  0.696040D+01  0.106280D+02
      2  -0.892535D+00 -0.814956D-01  0.400379D+01 -0.201094D+01 -0.595171D+01
      3  -0.138326D+00 -0.305523D+00 -0.961619D+00  0.175137D+01  0.315819D+01
               246           247           248           249           250 
      1  -0.147140D+01  0.737234D+01  0.332780D+02  0.136087D+01 -0.106991D+01
      2  -0.327810D-01 -0.432607D+01 -0.568039D+01 -0.750801D+00 -0.932616D+00
      3   0.144478D+01  0.523272D+01  0.421616D+01  0.110320D+01  0.400439D+00
               251           252           253           254           255 
      1  -0.208295D+01  0.107115D+02  0.280202D+02 -0.526670D+01  0.476273D+02
      2  -0.799520D+00 -0.314488D+01  0.180389D+02 -0.217996D+02  0.237078D+02
      3   0.597698D+00  0.115255D+01 -0.691344D+01  0.667549D+01 -0.151574D+02
               256           257           258           259           260 
      1  -0.944983D+01  0.851610D+02 -0.546562D+02  0.229036D+02 -0.470065D+02
      2  -0.677688D+01 -0.568493D+00 -0.487469D+01  0.419107D+01  0.415274D+01
      3   0.294972D+01 -0.105455D+01  0.720244D-01  0.370437D+00 -0.177572D+01
               261           262           263           264           265 
      1   0.121458D+03 -0.191513D+02  0.145064D+02 -0.481629D+02  0.466897D+01
      2  -0.707138D+01 -0.161524D+02  0.308462D+01 -0.310164D+01  0.131071D+01
      3   0.577045D+01  0.588257D+01 -0.457294D+01  0.339791D+01  0.631767D-01
               266           267           268           269           270 
      1  -0.189007D+02  0.189541D+01 -0.510204D+01  0.128405D+02 -0.252482D+02
      2   0.119212D+01 -0.651290D+00 -0.158324D+01 -0.239123D+01 -0.142199D+00
      3   0.301550D+01 -0.276640D+01 -0.233726D+00  0.140186D-01  0.632413D+00
               271           272           273           274           275 
      1  -0.124288D+02 -0.931127D+01 -0.264881D+01 -0.396137D+02  0.326744D+03
      2   0.278699D+01 -0.287458D+02  0.401491D+02 -0.617997D+01 -0.964165D+01
      3   0.371320D+01 -0.194326D+02  0.269928D+02 -0.619368D+01 -0.191483D+01
               276           277           278           279           280 
      1  -0.491639D+03  0.186407D+01 -0.482763D+02  0.127529D+03 -0.690239D+00
      2   0.948807D+00  0.135841D+02  0.496864D+01 -0.308598D+01  0.341238D+00
      3   0.674548D+01  0.149123D+02 -0.153739D+01 -0.123478D+00  0.731683D-01
               281           282           283           284           285 
      1  -0.122675D+01  0.645362D+01 -0.456820D+00 -0.101667D+02 -0.157498D+02
      2  -0.975750D+01  0.596874D+00 -0.254543D+01 -0.194232D+00 -0.431510D+00
      3   0.354130D+01 -0.943738D+01  0.409913D+01  0.984518D+00  0.963982D+00
               286           287           288           289           290 
      1   0.179418D+01 -0.270490D+02  0.159323D+01 -0.997281D+01  0.110824D+02
      2  -0.212569D+01  0.101749D+01 -0.993400D-01 -0.446508D+00  0.381162D+01
      3   0.265324D+01  0.465095D+00  0.737599D+00  0.922825D+00  0.639268D+00
               291           292           293           294           295 
      1  -0.220634D+02 -0.126280D+01 -0.545223D+02 -0.448946D+02 -0.193944D+02
      2   0.174729D+02  0.940328D+00  0.598440D+01 -0.659347D+01 -0.149020D+02
      3   0.912688D+01 -0.735497D+01  0.601608D+00  0.217969D+01 -0.680835D+01
               296           297           298           299           300 
      1   0.163543D+03 -0.304504D+03 -0.144475D+01 -0.900408D+01  0.145033D+02
      2  -0.599637D+01  0.211917D+00  0.127265D+01  0.296311D+01  0.247795D+02
      3  -0.198492D+00  0.485917D+01 -0.225535D+01  0.261946D+02 -0.171168D+02
               301           302           303           304           305 
      1  -0.918390D+01  0.603974D+02 -0.120562D+03  0.193041D+02 -0.141032D+03
      2   0.590860D+01 -0.179085D+01  0.149555D+01  0.182910D+02  0.309858D+01
      3   0.168846D+02  0.932513D+00  0.174986D+01  0.138801D+02  0.843683D+00
               306           307           308           309           310 
      1   0.201609D+03 -0.827037D+00 -0.344699D+00  0.626715D+00  0.195076D+01
      2  -0.569828D+01  0.121044D+00 -0.113338D-01  0.323180D-01  0.559443D+00
      3  -0.589014D+01  0.508972D+00 -0.776804D+01  0.510208D+01  0.604967D+01
               311           312           313           314           315 
      1  -0.275459D+02  0.635405D+01  0.576605D+00 -0.865574D+01  0.915199D+00
      2  -0.159761D+01 -0.795311D-01 -0.388734D+00 -0.479654D+00 -0.156628D+00
      3   0.318852D+00 -0.207027D-01  0.133486D+01  0.939324D+00 -0.567010D+00
               316           317           318           319           320 
      1   0.172547D+02 -0.356661D+01  0.518345D+01 -0.206097D+02  0.116698D+03
      2  -0.279686D+01  0.184659D+02 -0.848686D+01  0.458050D+01  0.256069D+01
      3  -0.321472D+01  0.254484D+01 -0.154095D+02  0.235637D+01 -0.130327D+01
               321           322           323           324           325 
      1  -0.257928D+03 -0.106103D+02  0.472305D+02 -0.115476D+03 -0.274996D+01
      2  -0.255635D+01 -0.179800D+02 -0.453011D+00  0.148987D+01 -0.316502D+00
      3   0.666955D+01 -0.199053D+02 -0.126475D+01  0.444228D+01 -0.192367D+00
               326           327           328           329           330 
      1  -0.509750D+00  0.166071D+01 -0.377159D+00  0.173479D+01 -0.313919D+01
      2  -0.422035D+01  0.398212D+01  0.251108D+01 -0.531870D+00  0.439453D+00
      3  -0.310890D+01  0.327881D+01  0.267009D+01 -0.349072D+00  0.653176D+00
               331           332           333           334           335 
      1   0.214408D+01 -0.596726D+01  0.240611D+02  0.381665D+02  0.385671D+01
      2  -0.484495D+01  0.629286D+00 -0.559795D+00 -0.164475D+01  0.889465D+01
      3  -0.377106D+01  0.834586D+00 -0.188310D+01 -0.625493D+00 -0.533507D+01
               336           337           338           339           340 
      1  -0.154762D+02  0.172450D+02 -0.185171D+02  0.233929D+03 -0.138200D+02
      2  -0.215512D+02 -0.132103D+02 -0.165721D+01  0.276603D+01 -0.703450D+01
      3  -0.476842D+01 -0.784704D+01 -0.765889D+00 -0.383163D+01 -0.120087D+01
               341           342           343           344           345 
      1   0.105798D+03 -0.117332D+03 -0.618869D+01 -0.377489D+00 -0.564000D+00
      2   0.225927D+01 -0.666332D+00  0.413807D+00 -0.236325D+01  0.488902D+01
      3   0.171982D+00  0.472902D+01 -0.328089D+00  0.309826D+00 -0.677615D+01
               346           347           348           349           350 
      1   0.449567D+00  0.275314D+02  0.242018D+02  0.264576D+01  0.150192D+02
      2  -0.180295D+01  0.815498D+00  0.495519D+00 -0.338331D+01  0.478293D+00
      3   0.950427D+00 -0.584581D+00 -0.998994D+00  0.408161D+00 -0.352964D+00
               351 
      1   0.307630D+02
      2  -0.162768D-01
      3  -0.923014D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.341402D+02  0.228951D+00  0.155208D-05  0.139966D+01  0.108669D+02
      2  -0.226081D+02 -0.433669D+01 -0.155686D-05 -0.103983D+01 -0.179258D+02
      3  -0.115320D+02  0.410774D+01  0.000000D+00 -0.359838D+00  0.705897D+01
      4   0.226351D+01  0.346251D+01 -0.245247D-05 -0.145003D+02  0.663538D+00
      5  -0.173708D-05 -0.561059D-05  0.168809D+01 -0.184481D-05  0.000000D+00
      6  -0.346997D-05  0.750465D-05 -0.557088D+00 -0.147185D-05 -0.359301D-05
                 6             7             8             9            10 
      1   0.000000D+00  0.000000D+00  0.000000D+00  0.368537D+02  0.328520D+01
      2  -0.322622D-05  0.125311D-05  0.000000D+00 -0.498282D+01 -0.736121D+01
      3   0.374999D-05 -0.180990D-05  0.000000D+00 -0.318709D+02  0.407601D+01
      4   0.000000D+00  0.000000D+00  0.000000D+00  0.628500D+01 -0.282607D-01
      5   0.289620D+00  0.156835D+01  0.588955D+01 -0.244765D-05  0.150785D+01
      6  -0.307711D+02  0.119022D+02 -0.930937D+02 -0.423854D-05 -0.499581D+01
                11            12            13            14            15 
      1  -0.631245D+00  0.222952D+01 -0.503276D+01  0.151833D+02  0.193401D+02
      2   0.495765D+01 -0.688129D+00  0.233757D+01 -0.383810D+01 -0.674042D+01
      3  -0.432640D+01 -0.154139D+01  0.269519D+01 -0.113452D+02 -0.125997D+02
      4  -0.482694D+01  0.161749D+01  0.148363D+02  0.251910D+01  0.470805D+01
      5  -0.752747D+01 -0.890818D+00  0.591151D+01  0.341775D+01  0.281874D+01
      6   0.406523D+01 -0.830351D+01  0.765961D+01 -0.527033D+02 -0.665651D+02
                16            17            18            19            20 
      1   0.283130D+01  0.331625D+02 -0.234440D+02  0.501222D+01  0.851363D+00
      2   0.398975D+01 -0.817651D+02 -0.353621D+02 -0.776119D+01  0.101641D+02
      3  -0.682105D+01  0.486026D+02  0.588061D+02  0.274897D+01 -0.110155D+02
      4   0.366728D+01  0.405659D+01 -0.669300D+01  0.299916D+01 -0.572879D+01
      5  -0.627159D+01  0.313508D+01 -0.654866D+01  0.137067D+01  0.728789D+01
      6  -0.745147D+01 -0.566050D+02  0.133012D+03 -0.144222D+02  0.254108D+01
                21            22            23            24            25 
      1   0.763486D+01 -0.126734D+02  0.702033D+02  0.111232D+03 -0.745129D+01
      2   0.804016D+00  0.132209D+02 -0.601292D+02 -0.110413D+03  0.101388D+02
      3  -0.843888D+01 -0.547463D+00 -0.100740D+02 -0.818141D+00 -0.268747D+01
      4  -0.522035D+01  0.132036D+02  0.154641D+02  0.215717D+02  0.399766D+01
      5   0.116827D+02  0.205787D+02  0.107760D+02  0.146372D+02  0.186850D+02
      6  -0.310270D+02  0.399977D+02 -0.284570D+03 -0.409101D+03  0.117562D+02
                26            27            28            29            30 
      1   0.939993D+01  0.248436D+02  0.501222D+01  0.851363D+00 -0.763486D+01
      2  -0.282076D+02 -0.627619D+02 -0.776120D+01  0.101641D+02 -0.804017D+00
      3   0.188076D+02  0.379183D+02  0.274898D+01 -0.110155D+02  0.843888D+01
      4   0.279440D+01  0.591532D+01  0.299916D+01 -0.572879D+01  0.522035D+01
      5  -0.840294D+01 -0.525674D+01 -0.137067D+01 -0.728788D+01  0.116827D+02
      6  -0.143864D+01 -0.116274D+03  0.144222D+02 -0.254108D+01 -0.310270D+02
                31            32            33            34            35 
      1  -0.126734D+02  0.702033D+02 -0.111232D+03  0.745129D+01 -0.939993D+01
      2   0.132209D+02 -0.601292D+02  0.110413D+03 -0.101388D+02  0.282076D+02
      3  -0.547462D+00 -0.100740D+02  0.818141D+00  0.268747D+01 -0.188076D+02
      4   0.132036D+02  0.154641D+02 -0.215717D+02 -0.399766D+01 -0.279440D+01
      5  -0.205787D+02 -0.107760D+02  0.146372D+02  0.186850D+02 -0.840294D+01
      6  -0.399977D+02  0.284570D+03 -0.409101D+03  0.117562D+02 -0.143864D+01
                36            37            38            39            40 
      1   0.248436D+02  0.328520D+01 -0.631246D+00 -0.222952D+01 -0.503276D+01
      2  -0.627619D+02 -0.736120D+01  0.495765D+01  0.688129D+00  0.233757D+01
      3   0.379183D+02  0.407601D+01 -0.432641D+01  0.154139D+01  0.269519D+01
      4   0.591532D+01 -0.282618D-01 -0.482694D+01 -0.161749D+01  0.148363D+02
      5   0.525674D+01 -0.150785D+01  0.752747D+01 -0.890818D+00 -0.591151D+01
      6   0.116274D+03  0.499581D+01 -0.406523D+01 -0.830351D+01 -0.765961D+01
                41            42            43            44            45 
      1   0.151833D+02 -0.193401D+02 -0.283130D+01 -0.331625D+02 -0.234440D+02
      2  -0.383810D+01  0.674042D+01 -0.398975D+01  0.817651D+02 -0.353621D+02
      3  -0.113452D+02  0.125997D+02  0.682105D+01 -0.486026D+02  0.588061D+02
      4   0.251910D+01 -0.470805D+01 -0.366728D+01 -0.405659D+01 -0.669300D+01
      5  -0.341775D+01  0.281874D+01 -0.627159D+01  0.313508D+01  0.654866D+01
      6   0.527033D+02 -0.665651D+02 -0.745147D+01 -0.566050D+02 -0.133012D+03
                46            47            48            49            50 
      1   0.668530D+01  0.152981D+01 -0.882944D+01  0.322662D+01 -0.239727D+02
      2  -0.243907D+02 -0.969380D+01 -0.483725D+01 -0.128891D+02  0.107656D+03
      3   0.177054D+02  0.816399D+01  0.136667D+02  0.966245D+01 -0.836833D+02
      4  -0.119616D+01  0.891643D+01  0.294131D+02 -0.170535D+02 -0.508725D+01
      5  -0.506780D+01  0.117468D+02  0.585307D+02 -0.287307D+02 -0.146483D+01
      6   0.268440D+02 -0.154745D+01  0.183285D+02  0.790383D+01  0.388507D+02
                51            52            53            54            55 
      1   0.190339D+02 -0.169843D+01 -0.302208D+02  0.120072D+02  0.983290D+00
      2   0.107264D+03 -0.371392D+01  0.577247D+02  0.192743D+01 -0.129023D+01
      3  -0.126298D+03  0.541234D+01 -0.275039D+02 -0.139347D+02  0.306943D+00
      4   0.497417D+01  0.952294D+00 -0.281310D+01  0.699210D+01  0.512976D+00
      5   0.114502D+02  0.130911D+02 -0.332601D+01  0.684829D+01  0.601270D+00
      6  -0.179779D+03  0.589097D+01  0.428441D+02 -0.773688D+02 -0.552870D+01
                56            57            58            59            60 
      1   0.403209D+00  0.193522D+01 -0.116200D+00 -0.185228D+01  0.481702D+01
      2  -0.243534D+00  0.173290D+01 -0.121317D+01 -0.133004D+02  0.205570D+02
      3  -0.159675D+00 -0.366812D+01  0.132937D+01  0.151527D+02 -0.253740D+02
      4  -0.759211D+00 -0.359654D+01  0.969656D+00  0.733387D+00 -0.944910D+00
      5  -0.346100D+01 -0.548563D+01 -0.279871D+01 -0.483512D+00  0.152334D+01
      6  -0.118067D+01 -0.767584D+00 -0.593889D+00 -0.617955D+01  0.268046D+01
                61            62            63            64            65 
      1   0.430604D+00  0.150782D+01 -0.182685D+02 -0.248699D+01 -0.586456D+01
      2   0.255157D+01  0.122986D+02 -0.416882D+02 -0.686566D+01  0.220335D+00
      3  -0.298217D+01 -0.138064D+02  0.599567D+02  0.935265D+01  0.564422D+01
      4   0.410839D+00 -0.711115D+00  0.952803D-01 -0.876118D+01  0.344246D+02
      5   0.653850D+01  0.365421D+00 -0.459669D+01 -0.997597D+01  0.298772D+02
      6  -0.112939D+01  0.860645D+01  0.633659D+01  0.492605D+02  0.524285D+01
                66            67            68            69            70 
      1  -0.848505D+01  0.856129D+00  0.855826D+01 -0.385611D+02 -0.821550D+01
      2   0.411113D+01  0.716162D+01 -0.806183D+02 -0.628774D+02 -0.328767D+01
      3   0.437392D+01 -0.801775D+01  0.720600D+02  0.101439D+03  0.115032D+02
      4   0.381776D+02  0.805327D+01  0.341034D+01 -0.646531D+01  0.400620D+02
      5   0.501362D+02  0.121840D+02  0.127302D+01 -0.828980D+01  0.358968D+02
      6   0.422635D+01 -0.107078D+02  0.145975D+02  0.221142D+03  0.103363D+02
                71            72            73            74            75 
      1  -0.249073D+02  0.142363D+02  0.247724D+00  0.481161D+01  0.649924D+01
      2   0.108621D+03  0.357669D+02  0.438859D+00 -0.109830D+01 -0.153156D+00
      3  -0.837134D+02 -0.500031D+02 -0.686583D+00 -0.371331D+01 -0.634608D+01
      4  -0.153993D+01  0.828805D+01 -0.469273D+00 -0.138076D+01 -0.314206D+01
      5   0.316507D+01  0.100968D+02 -0.566359D+00 -0.204342D+01 -0.345060D+01
      6   0.521457D+02 -0.822987D+02 -0.334944D+01 -0.936183D+01 -0.120894D+02
                76            77            78            79            80 
      1   0.263999D+01 -0.315117D+02 -0.316156D+02  0.410149D+01 -0.376128D+02
      2  -0.143357D+01  0.199322D+02  0.150364D+02  0.109310D+01  0.412429D+01
      3  -0.120642D+01  0.115796D+02  0.165791D+02 -0.519459D+01  0.334885D+02
      4   0.518321D+01 -0.511320D+01 -0.507263D+01  0.577183D+01 -0.547159D+01
      5   0.392387D+01 -0.497964D+01 -0.527169D+01  0.842664D+01 -0.696739D+01
      6  -0.618499D+01  0.586732D+02  0.593741D+02 -0.985229D+01  0.721417D+02
                81            82            83            84            85 
      1  -0.580722D+02 -0.267695D+01 -0.562671D+01  0.402601D+01  0.188275D+01
      2  -0.116501D+02  0.356916D+02  0.730918D+01  0.119316D+01 -0.820165D+00
      3   0.697223D+02 -0.330146D+02 -0.168247D+01 -0.521917D+01 -0.106258D+01
      4  -0.784373D+01 -0.715406D+01  0.724991D+02  0.272321D+02  0.364736D+02
      5  -0.118609D+02  0.126457D+00  0.265230D+02  0.851970D+01  0.107252D+02
      6   0.108776D+03  0.323354D+02 -0.208530D+01 -0.180925D+02 -0.106104D+02
                86            87            88            89            90 
      1  -0.284989D+02 -0.524104D+02  0.114142D+02 -0.958225D+01 -0.562920D+02
      2   0.410468D+02  0.454528D+02  0.266647D-01 -0.461293D+02  0.155959D+02
      3  -0.125479D+02  0.695764D+01 -0.114408D+02  0.557115D+02  0.406961D+02
      4  -0.224119D+01 -0.747918D+01 -0.258732D+02  0.111764D+01 -0.128928D+02
      5  -0.317539D+01 -0.692091D+01 -0.328796D+02 -0.313585D+01 -0.123125D+02
      6   0.114831D+03  0.159114D+03 -0.182979D+02  0.583109D+02  0.223193D+03
                91            92            93            94            95 
      1   0.255537D+00  0.264301D+01  0.958887D+00  0.155128D+01 -0.561790D+02
      2  -0.158382D+01 -0.501918D+01 -0.142475D+01 -0.590732D+01  0.145896D+03
      3   0.132829D+01  0.237617D+01  0.465863D+00  0.435604D+01 -0.897171D+02
      4   0.424173D+00 -0.553010D+01 -0.454794D+01  0.973044D+01 -0.855941D+01
      5   0.170688D+00 -0.172448D+01 -0.132829D+00  0.171389D+01 -0.325956D+00
      6  -0.342902D+01 -0.300369D+01 -0.108281D+01 -0.840155D+00  0.319852D+02
                96            97            98            99           100 
      1  -0.120402D+01 -0.588057D-01  0.826166D+01 -0.555225D+01  0.162237D+02
      2   0.508333D+01  0.791218D+00 -0.338495D+02  0.779426D+01  0.327338D+01
      3  -0.387931D+01 -0.732413D+00  0.255878D+02 -0.224200D+01 -0.194971D+02
      4   0.167646D-01 -0.163125D+01  0.312488D+00 -0.113548D+01  0.311423D+01
      5   0.445859D-02  0.133770D+01 -0.113452D+01 -0.376033D+00 -0.873565D+00
      6   0.714457D+00 -0.110715D+01  0.112371D+02  0.646756D+01 -0.154796D+02
               101           102           103           104           105 
      1  -0.686923D+01 -0.109075D+02 -0.209072D+01  0.297240D+02  0.351035D+02
      2   0.788980D+01  0.948689D+01  0.588837D+01 -0.565884D+02 -0.692182D+02
      3  -0.102057D+01  0.142065D+01 -0.379765D+01  0.268644D+02  0.341146D+02
      4   0.926277D+01 -0.161276D+02 -0.151408D+02  0.728299D+01  0.525029D+01
      5   0.166334D+01  0.366366D+01  0.220263D+01  0.353011D+01  0.414141D+01
      6   0.164174D+02  0.312585D+02  0.842317D+01 -0.103430D+03 -0.923384D+02
               106           107           108           109           110 
      1  -0.899089D+01  0.412296D+02  0.528094D+02  0.137860D+02  0.467301D+00
      2   0.766470D+01 -0.418222D+02 -0.621214D+02  0.393353D+01 -0.268520D+01
      3   0.132619D+01  0.592632D+00  0.931195D+01 -0.177195D+02  0.221790D+01
      4   0.110500D+02  0.831209D+01  0.104459D+02  0.352958D+01  0.904877D+01
      5   0.262689D+02  0.805293D+01  0.125468D+02  0.248493D+01 -0.586526D+01
      6   0.197274D+02 -0.152070D+03 -0.268528D+03 -0.164888D+02 -0.874848D+00
               111           112           113           114           115 
      1  -0.486871D+01  0.965521D+01 -0.614224D+02 -0.104050D+03  0.370171D+01
      2   0.218760D+01 -0.997996D+01  0.544262D+02  0.117594D+03 -0.334856D+01
      3   0.268111D+01  0.324753D+00  0.699621D+01 -0.135442D+02 -0.353147D+00
      4  -0.211713D+02 -0.954492D+01 -0.147934D+02 -0.168611D+02 -0.309348D+02
      5  -0.257227D+01 -0.156694D+02 -0.112870D+02 -0.183804D+02 -0.241676D+02
      6   0.107656D+02 -0.313749D+02  0.272529D+03  0.383821D+03 -0.623287D+01
               116           117           118           119           120 
      1  -0.245521D+02 -0.822294D+01 -0.106864D+01  0.161346D+01  0.321776D+01
      2   0.158670D+02  0.376101D+02  0.310056D+01  0.103547D+01 -0.237382D+01
      3   0.868505D+01 -0.293872D+02 -0.203193D+01 -0.264893D+01 -0.843941D+00
      4  -0.600295D+00 -0.152173D+01  0.108576D+01  0.759359D+01 -0.134279D+01
      5  -0.502835D+01 -0.597890D+01 -0.212712D+00 -0.181675D+01  0.280175D+01
      6   0.645051D+02  0.134392D+03 -0.180159D+01 -0.519818D+01 -0.707281D+01
               121           122           123           124           125 
      1  -0.271098D+00 -0.132428D+02  0.107404D+02  0.677109D+00  0.419850D+01
      2   0.138642D+01  0.403363D+02 -0.276697D+02 -0.801660D+00 -0.145320D+02
      3  -0.111532D+01 -0.270935D+02  0.169292D+02  0.124550D+00  0.103334D+02
      4   0.682191D+01  0.298767D+01 -0.121633D+01 -0.289993D+01 -0.200283D+01
      5  -0.308334D+01  0.356699D+00 -0.442694D+00  0.223129D+01 -0.568155D+00
      6  -0.608394D+00 -0.359167D+02  0.305660D+02 -0.980162D+00  0.353596D+02
               126           127           128           129           130 
      1  -0.155516D+02 -0.216198D+02  0.154843D+02  0.421910D+02  0.667926D+01
      2   0.159542D+02  0.193446D+02 -0.269038D+02 -0.409567D+02 -0.537494D+01
      3  -0.402640D+00  0.227517D+01  0.114195D+02 -0.123430D+01 -0.130432D+01
      4   0.524733D+00 -0.122180D+02  0.794495D+01  0.912161D+01  0.168444D+01
      5  -0.663215D+00  0.343163D+02 -0.178709D+02 -0.172359D+02 -0.123236D+02
      6  -0.925085D+01  0.152285D+02 -0.249970D+02 -0.286663D+02 -0.125013D+02
               131           132           133           134           135 
      1   0.147720D-01 -0.250527D+02  0.118782D+02 -0.181388D+02 -0.210437D+02
      2   0.734844D+01  0.136987D+02 -0.965159D+01  0.953113D+01  0.538748D+02
      3  -0.736321D+01  0.113540D+02 -0.222664D+01  0.860763D+01 -0.328310D+02
      4  -0.487641D+00 -0.795854D+01 -0.152250D+01 -0.523860D+01 -0.693652D+01
      5  -0.303241D+00  0.689156D+01 -0.137058D+02  0.822317D+01  0.355096D+01
      6   0.770733D+01  0.284573D+02 -0.179847D+02  0.326244D+02  0.119009D+03
               136           137           138           139           140 
      1   0.422121D+02 -0.139003D+02 -0.254531D+02 -0.316389D+01  0.524476D+01
      2  -0.277161D+02  0.168464D+02  0.370396D+02  0.281822D+01 -0.330180D+01
      3  -0.144961D+02 -0.294613D+01 -0.115865D+02  0.345667D+00 -0.194296D+01
      4   0.104391D+02 -0.345337D+00 -0.860294D+01  0.584731D+01 -0.760870D-01
      5  -0.325838D+02  0.970167D+01  0.251839D+02  0.360251D+01 -0.406748D+01
      6  -0.159503D+02  0.342754D+01  0.435090D+02 -0.216793D+01 -0.240987D+01
               141           142           143           144           145 
      1   0.411124D+01  0.918097D+00 -0.800887D+00  0.566820D+01 -0.768014D+01
      2  -0.173845D+01  0.533324D+01  0.166665D+01 -0.137070D+02 -0.658636D+01
      3  -0.237279D+01 -0.625134D+01 -0.865759D+00  0.803879D+01  0.142665D+02
      4  -0.240659D+01  0.590329D+00  0.758158D+00  0.265573D+01  0.200092D+02
      5  -0.186184D+01  0.873693D+01 -0.178874D+01 -0.692910D+01 -0.437155D+02
      6   0.771049D+01  0.400664D+01 -0.409553D+01 -0.275952D+02  0.150339D+02
               146           147           148           149           150 
      1   0.374610D+01 -0.141568D+02  0.470206D+01  0.629479D+01  0.102436D+02
      2  -0.703782D+01 -0.321121D+01 -0.101854D+02 -0.196772D+02  0.337747D+02
      3   0.329172D+01  0.173680D+02  0.548331D+01  0.133824D+02 -0.440183D+02
      4  -0.955160D+01  0.309280D+01 -0.529631D+01 -0.130363D+02  0.134203D+01
      5   0.143426D+02 -0.912463D+00  0.108187D+02  0.151262D+02 -0.174363D+01
      6   0.133562D+02  0.483266D+00  0.110192D+02  0.428221D+02  0.264485D+01
               151           152           153           154           155 
      1  -0.318945D+01  0.103235D+02 -0.282096D+01  0.129599D+01 -0.280407D+01
      2  -0.463005D+01  0.157862D+02 -0.396998D+01  0.542214D+01  0.104274D+02
      3   0.781950D+01 -0.261096D+02  0.679094D+01 -0.671813D+01 -0.762337D+01
      4  -0.286393D+00  0.958901D+00 -0.492674D+01  0.568989D+01  0.121873D+02
      5   0.294030D+01 -0.205861D+01  0.125125D+02 -0.417024D+01 -0.124002D+02
      6  -0.283996D+01  0.188255D+01 -0.450107D+02 -0.127219D+02 -0.180727D+02
               156           157           158           159           160 
      1   0.574181D+01 -0.317526D+01 -0.167727D+02  0.946974D+01  0.246880D+01
      2   0.378696D+01  0.842400D+01  0.401652D+02 -0.413898D+01  0.241515D+01
      3  -0.952877D+01 -0.524874D+01 -0.233924D+02 -0.533076D+01 -0.488395D+01
      4  -0.411843D+01  0.933267D+01  0.125394D+02 -0.316880D+01 -0.822872D+00
      5   0.555322D+01 -0.876177D+01 -0.122741D+02  0.368569D+01  0.212384D+01
      6   0.838001D+01 -0.115862D+02 -0.568192D+02  0.205705D+02  0.332739D+01
               161           162           163           164           165 
      1   0.504694D+01 -0.543371D+01  0.215628D+02 -0.328619D+01 -0.349850D+01
      2   0.137179D+01  0.402038D+01 -0.517649D+01 -0.303053D+01 -0.103488D+02
      3  -0.641873D+01  0.141332D+01 -0.163863D+02  0.631672D+01  0.138473D+02
      4  -0.976583D+00  0.403381D+01 -0.254728D+02  0.112222D+02 -0.576655D+01
      5   0.179604D+01 -0.635640D+01  0.451552D+02 -0.127116D+02  0.135692D+02
      6   0.130022D+02 -0.619491D+01 -0.171156D+02  0.113712D+02 -0.123031D+02
               166           167           168           169           170 
      1  -0.161326D+01  0.152785D+01 -0.526688D+00 -0.360038D+01 -0.949406D+00
      2  -0.185452D+01  0.442787D+01 -0.542425D+01 -0.393602D+01  0.579254D+00
      3   0.346778D+01 -0.595572D+01  0.595094D+01  0.753640D+01  0.370153D+00
      4   0.736270D+01 -0.450701D+01  0.233391D+01  0.190467D+00 -0.136460D+00
      5  -0.564157D+01  0.674615D+01 -0.319743D+01  0.539603D+01 -0.976771D+00
      6   0.700772D+01 -0.910505D+01  0.274083D+01 -0.332109D+01  0.143526D+01
               171           172           173           174           175 
      1   0.163994D+01 -0.833902D+01 -0.707580D+01  0.259317D+02 -0.322961D+01
      2  -0.165422D+01  0.177990D+02 -0.167197D+01  0.180132D+02 -0.357526D+00
      3   0.142783D-01 -0.945997D+01  0.874777D+01 -0.439449D+02  0.358714D+01
      4  -0.385963D+01 -0.956931D+01  0.487693D+00  0.422990D+01 -0.172901D+00
      5   0.758657D+01  0.688081D+02  0.492840D+01 -0.194615D+02 -0.345771D+01
      6   0.440031D+01  0.578570D+01 -0.194614D+02  0.171654D+02 -0.168540D+02
               176           177           178           179           180 
      1   0.558394D+01 -0.343167D+02  0.113523D+02 -0.261604D+02  0.258653D+02
      2   0.427452D+01 -0.400306D+02  0.113512D+02 -0.318250D+02  0.116688D+02
      3  -0.985846D+01  0.743473D+02 -0.227035D+02  0.579855D+02 -0.375341D+02
      4   0.374751D+01 -0.327334D+01  0.867380D+00 -0.131072D+01  0.559742D+01
      5  -0.178011D+02  0.613306D+01 -0.704267D+01  0.412825D+01 -0.270001D+02
      6  -0.142158D+02 -0.225557D+02  0.801207D+01 -0.170464D+02  0.642895D+02
               181           182           183           184           185 
      1   0.200019D+02  0.205037D+01  0.145249D+01 -0.136597D+00  0.103617D+01
      2  -0.277256D+02  0.432681D+00  0.206430D+02  0.160288D+01 -0.244346D+01
      3   0.772368D+01 -0.248305D+01 -0.220955D+02 -0.146629D+01  0.140729D+01
      4   0.127093D+02  0.543652D+01 -0.568012D+01  0.620018D+01  0.173346D+01
      5  -0.778341D+02 -0.881341D+01  0.362319D+02  0.196070D+01 -0.777357D+01
      6  -0.967044D+01 -0.118920D+02  0.447494D+01 -0.800932D+01  0.716391D+00
               186           187           188           189           190 
      1   0.400214D+01  0.335622D+01  0.404731D+01 -0.315353D+01 -0.545649D+01
      2   0.227734D+01  0.845501D+01  0.407162D+01 -0.985670D+01 -0.108891D+02
      3  -0.627948D+01 -0.118112D+02 -0.811892D+01  0.130102D+02  0.163456D+02
      4  -0.184141D+01 -0.346401D+00 -0.372547D+00  0.137045D+01 -0.185287D+01
      5  -0.317903D-01  0.119384D+02  0.515155D+00 -0.152004D+02  0.453293D+01
      6   0.861907D+01  0.189557D+01  0.453381D+01 -0.914698D+01 -0.108399D+02
               191           192           193           194           195 
      1   0.557425D+01 -0.173425D+02  0.299408D+01 -0.194050D+02  0.304637D+02
      2   0.365379D+01 -0.201321D+02  0.926765D+00 -0.854357D+01  0.231880D+02
      3  -0.922804D+01  0.374746D+02 -0.392084D+01  0.279486D+02 -0.536517D+02
      4   0.344726D+01 -0.587681D+01  0.322978D+01 -0.192480D+01  0.167974D+01
      5  -0.921942D+01  0.250157D+02 -0.626291D+01  0.775912D+01 -0.529032D+01
      6   0.137137D+02 -0.189080D+02  0.811358D+01 -0.330934D+02  0.491595D+02
               196           197           198           199           200 
      1  -0.753498D+01  0.223203D+02 -0.653686D+02 -0.833902D+01 -0.707580D+01
      2  -0.732516D+01  0.188703D+02 -0.666767D+02  0.177990D+02 -0.167197D+01
      3   0.148601D+02 -0.411906D+02  0.132045D+03 -0.945997D+01  0.874778D+01
      4  -0.276755D+01  0.117914D+01 -0.325166D+01 -0.956931D+01  0.487693D+00
      5   0.141420D+02 -0.401517D+01  0.170133D+02 -0.688081D+02 -0.492840D+01
      6  -0.678323D+01  0.352532D+02 -0.683716D+02 -0.578570D+01  0.194614D+02
               201           202           203           204           205 
      1  -0.259317D+02 -0.322961D+01  0.558394D+01  0.343167D+02 -0.113523D+02
      2  -0.180132D+02 -0.357527D+00  0.427452D+01  0.400306D+02 -0.113512D+02
      3   0.439449D+02  0.358714D+01 -0.985846D+01 -0.743473D+02  0.227035D+02
      4  -0.422990D+01 -0.172901D+00  0.374751D+01  0.327334D+01 -0.867380D+00
      5  -0.194615D+02  0.345772D+01  0.178011D+02  0.613306D+01 -0.704267D+01
      6   0.171654D+02  0.168540D+02  0.142158D+02 -0.225557D+02  0.801207D+01
               206           207           208           209           210 
      1   0.261604D+02  0.258653D+02 -0.545649D+01  0.557425D+01  0.173425D+02
      2   0.318250D+02  0.116688D+02 -0.108891D+02  0.365379D+01  0.201321D+02
      3  -0.579855D+02 -0.375341D+02  0.163456D+02 -0.922804D+01 -0.374746D+02
      4   0.131072D+01  0.559742D+01 -0.185287D+01  0.344726D+01  0.587681D+01
      5   0.412825D+01  0.270001D+02 -0.453293D+01  0.921942D+01  0.250157D+02
      6  -0.170464D+02 -0.642895D+02  0.108399D+02 -0.137137D+02 -0.189080D+02
               211           212           213           214           215 
      1   0.299408D+01 -0.194050D+02 -0.304637D+02  0.753498D+01 -0.223203D+02
      2   0.926765D+00 -0.854357D+01 -0.231880D+02  0.732516D+01 -0.188703D+02
      3  -0.392084D+01  0.279486D+02  0.536517D+02 -0.148601D+02  0.411906D+02
      4   0.322978D+01 -0.192480D+01 -0.167974D+01  0.276755D+01 -0.117914D+01
      5   0.626291D+01 -0.775912D+01 -0.529032D+01  0.141420D+02 -0.401517D+01
      6  -0.811358D+01  0.330934D+02  0.491595D+02 -0.678323D+01  0.352532D+02
               216           217           218           219           220 
      1  -0.653686D+02  0.200019D+02  0.205037D+01 -0.145249D+01 -0.136598D+00
      2  -0.666767D+02 -0.277256D+02  0.432681D+00 -0.206430D+02  0.160288D+01
      3   0.132045D+03  0.772368D+01 -0.248305D+01  0.220955D+02 -0.146629D+01
      4  -0.325166D+01  0.127093D+02  0.543652D+01  0.568012D+01  0.620018D+01
      5  -0.170133D+02  0.778341D+02  0.881341D+01  0.362319D+02 -0.196070D+01
      6   0.683716D+02  0.967044D+01  0.118920D+02  0.447494D+01  0.800932D+01
               221           222           223           224           225 
      1   0.103617D+01 -0.400214D+01 -0.335622D+01 -0.404731D+01 -0.315353D+01
      2  -0.244346D+01 -0.227734D+01 -0.845501D+01 -0.407162D+01 -0.985670D+01
      3   0.140729D+01  0.627948D+01  0.118112D+02  0.811892D+01  0.130102D+02
      4   0.173347D+01  0.184141D+01  0.346401D+00  0.372547D+00  0.137045D+01
      5   0.777357D+01 -0.317901D-01  0.119384D+02  0.515155D+00  0.152004D+02
      6  -0.716391D+00  0.861907D+01  0.189558D+01  0.453381D+01  0.914698D+01
               226           227           228           229           230 
      1  -0.768015D+01  0.374609D+01  0.141568D+02  0.470206D+01  0.629479D+01
      2  -0.658636D+01 -0.703781D+01  0.321121D+01 -0.101854D+02 -0.196772D+02
      3   0.142665D+02  0.329172D+01 -0.173680D+02  0.548331D+01  0.133824D+02
      4   0.200092D+02 -0.955160D+01 -0.309280D+01 -0.529631D+01 -0.130363D+02
      5   0.437155D+02 -0.143426D+02 -0.912463D+00 -0.108187D+02 -0.151262D+02
      6  -0.150339D+02 -0.133562D+02  0.483268D+00 -0.110192D+02 -0.428221D+02
               231           232           233           234           235 
      1  -0.102436D+02  0.318945D+01 -0.103235D+02 -0.282096D+01  0.215628D+02
      2  -0.337747D+02  0.463005D+01 -0.157862D+02 -0.396998D+01 -0.517649D+01
      3   0.440183D+02 -0.781950D+01  0.261096D+02  0.679094D+01 -0.163863D+02
      4  -0.134203D+01  0.286392D+00 -0.958901D+00 -0.492674D+01 -0.254728D+02
      5  -0.174363D+01  0.294030D+01 -0.205861D+01 -0.125125D+02 -0.451552D+02
      6   0.264486D+01 -0.283996D+01  0.188255D+01  0.450107D+02  0.171156D+02
               236           237           238           239           240 
      1  -0.328619D+01  0.349850D+01 -0.161326D+01  0.152785D+01  0.526687D+00
      2  -0.303053D+01  0.103488D+02 -0.185452D+01  0.442787D+01  0.542425D+01
      3   0.631672D+01 -0.138473D+02  0.346778D+01 -0.595572D+01 -0.595094D+01
      4   0.112222D+02  0.576655D+01  0.736270D+01 -0.450701D+01 -0.233391D+01
      5   0.127116D+02  0.135692D+02  0.564157D+01 -0.674615D+01 -0.319743D+01
      6  -0.113712D+02 -0.123031D+02 -0.700772D+01  0.910505D+01  0.274083D+01
               241           242           243           244           245 
      1   0.360038D+01  0.949406D+00  0.163994D+01  0.129599D+01 -0.280407D+01
      2   0.393602D+01 -0.579254D+00 -0.165422D+01  0.542214D+01  0.104274D+02
      3  -0.753640D+01 -0.370153D+00  0.142782D-01 -0.671813D+01 -0.762337D+01
      4  -0.190467D+00  0.136460D+00 -0.385963D+01  0.568989D+01  0.121873D+02
      5   0.539603D+01 -0.976771D+00 -0.758657D+01  0.417024D+01  0.124002D+02
      6  -0.332109D+01  0.143526D+01 -0.440031D+01  0.127219D+02  0.180727D+02
               246           247           248           249           250 
      1  -0.574181D+01 -0.317526D+01 -0.167727D+02 -0.946974D+01 -0.246880D+01
      2  -0.378696D+01  0.842400D+01  0.401652D+02  0.413898D+01 -0.241515D+01
      3   0.952877D+01 -0.524874D+01 -0.233924D+02  0.533076D+01  0.488395D+01
      4   0.411843D+01  0.933267D+01  0.125394D+02  0.316880D+01  0.822872D+00
      5   0.555322D+01  0.876177D+01  0.122741D+02  0.368569D+01  0.212384D+01
      6   0.838001D+01  0.115862D+02  0.568192D+02  0.205705D+02  0.332739D+01
               251           252           253           254           255 
      1  -0.504694D+01 -0.543371D+01 -0.216198D+02  0.154843D+02 -0.421910D+02
      2  -0.137179D+01  0.402038D+01  0.193446D+02 -0.269038D+02  0.409567D+02
      3   0.641873D+01  0.141332D+01  0.227517D+01  0.114195D+02  0.123429D+01
      4   0.976584D+00  0.403381D+01 -0.122180D+02  0.794495D+01 -0.912161D+01
      5   0.179604D+01  0.635640D+01 -0.343163D+02  0.178709D+02 -0.172359D+02
      6   0.130022D+02  0.619491D+01 -0.152285D+02  0.249970D+02 -0.286663D+02
               256           257           258           259           260 
      1   0.667927D+01  0.147806D-01  0.250527D+02 -0.118782D+02  0.181388D+02
      2  -0.537494D+01  0.734843D+01 -0.136987D+02  0.965158D+01 -0.953113D+01
      3  -0.130433D+01 -0.736321D+01 -0.113540D+02  0.222664D+01 -0.860763D+01
      4   0.168445D+01 -0.487643D+00  0.795854D+01  0.152249D+01  0.523860D+01
      5   0.123236D+02  0.303241D+00  0.689155D+01 -0.137058D+02  0.822317D+01
      6   0.125013D+02 -0.770733D+01  0.284573D+02 -0.179847D+02  0.326244D+02
               261           262           263           264           265 
      1  -0.210437D+02  0.422121D+02 -0.139003D+02  0.254531D+02 -0.316389D+01
      2   0.538748D+02 -0.277161D+02  0.168464D+02 -0.370396D+02  0.281822D+01
      3  -0.328311D+02 -0.144961D+02 -0.294613D+01  0.115865D+02  0.345667D+00
      4  -0.693652D+01  0.104391D+02 -0.345338D+00  0.860295D+01  0.584731D+01
      5  -0.355096D+01  0.325838D+02 -0.970167D+01  0.251839D+02 -0.360251D+01
      6  -0.119009D+03  0.159503D+02 -0.342754D+01  0.435090D+02  0.216793D+01
               266           267           268           269           270 
      1   0.524476D+01 -0.411124D+01 -0.918096D+00  0.800887D+00  0.566820D+01
      2  -0.330180D+01  0.173845D+01 -0.533324D+01 -0.166665D+01 -0.137070D+02
      3  -0.194296D+01  0.237279D+01  0.625134D+01  0.865758D+00  0.803879D+01
      4  -0.760871D-01  0.240659D+01 -0.590329D+00 -0.758158D+00  0.265573D+01
      5   0.406748D+01 -0.186184D+01  0.873692D+01 -0.178874D+01  0.692910D+01
      6   0.240987D+01  0.771049D+01  0.400664D+01 -0.409553D+01  0.275952D+02
               271           272           273           274           275 
      1   0.137860D+02  0.467300D+00  0.486871D+01  0.965521D+01 -0.614224D+02
      2   0.393353D+01 -0.268520D+01 -0.218760D+01 -0.997996D+01  0.544262D+02
      3  -0.177195D+02  0.221790D+01 -0.268111D+01  0.324756D+00  0.699622D+01
      4   0.352958D+01  0.904878D+01  0.211713D+02 -0.954492D+01 -0.147934D+02
      5  -0.248493D+01  0.586526D+01 -0.257226D+01  0.156694D+02  0.112870D+02
      6   0.164888D+02  0.874841D+00  0.107656D+02  0.313749D+02 -0.272529D+03
               276           277           278           279           280 
      1   0.104050D+03 -0.370171D+01  0.245521D+02 -0.822294D+01 -0.106864D+01
      2  -0.117594D+03  0.334856D+01 -0.158670D+02  0.376101D+02  0.310056D+01
      3   0.135442D+02  0.353149D+00 -0.868505D+01 -0.293872D+02 -0.203193D+01
      4   0.168611D+02  0.309348D+02  0.600293D+00 -0.152173D+01  0.108576D+01
      5  -0.183804D+02 -0.241676D+02 -0.502836D+01  0.597890D+01  0.212711D+00
      6   0.383821D+03 -0.623287D+01  0.645051D+02 -0.134392D+03  0.180159D+01
               281           282           283           284           285 
      1   0.161346D+01 -0.321776D+01 -0.271098D+00 -0.132428D+02 -0.107404D+02
      2   0.103547D+01  0.237382D+01  0.138642D+01  0.403363D+02  0.276697D+02
      3  -0.264893D+01  0.843942D+00 -0.111532D+01 -0.270935D+02 -0.169292D+02
      4   0.759359D+01  0.134279D+01  0.682191D+01  0.298767D+01  0.121633D+01
      5   0.181675D+01  0.280175D+01  0.308334D+01 -0.356698D+00 -0.442694D+00
      6   0.519818D+01 -0.707281D+01  0.608394D+00  0.359167D+02  0.305660D+02
               286           287           288           289           290 
      1  -0.677110D+00 -0.419850D+01 -0.155516D+02  0.162237D+02 -0.686923D+01
      2   0.801660D+00  0.145320D+02  0.159542D+02  0.327338D+01  0.788980D+01
      3  -0.124550D+00 -0.103334D+02 -0.402640D+00 -0.194971D+02 -0.102057D+01
      4   0.289993D+01  0.200283D+01  0.524733D+00  0.311423D+01  0.926276D+01
      5   0.223129D+01 -0.568155D+00  0.663215D+00  0.873562D+00 -0.166334D+01
      6  -0.980162D+00  0.353596D+02  0.925085D+01  0.154796D+02 -0.164174D+02
               291           292           293           294           295 
      1   0.109075D+02 -0.209072D+01  0.297240D+02 -0.351035D+02  0.899089D+01
      2  -0.948688D+01  0.588837D+01 -0.565884D+02  0.692182D+02 -0.766470D+01
      3  -0.142066D+01 -0.379765D+01  0.268644D+02 -0.341146D+02 -0.132619D+01
      4   0.161276D+02 -0.151408D+02  0.728299D+01 -0.525029D+01 -0.110500D+02
      5   0.366366D+01 -0.220263D+01 -0.353011D+01  0.414141D+01  0.262689D+02
      6   0.312585D+02 -0.842316D+01  0.103430D+03 -0.923384D+02  0.197274D+02
               296           297           298           299           300 
      1  -0.412296D+02  0.528094D+02 -0.267695D+01 -0.562671D+01 -0.402601D+01
      2   0.418222D+02 -0.621214D+02  0.356916D+02  0.730919D+01 -0.119317D+01
      3  -0.592634D+00  0.931195D+01 -0.330146D+02 -0.168247D+01  0.521918D+01
      4  -0.831209D+01  0.104459D+02 -0.715406D+01  0.724991D+02 -0.272321D+02
      5   0.805293D+01 -0.125468D+02 -0.126455D+00 -0.265230D+02  0.851970D+01
      6  -0.152070D+03  0.268528D+03 -0.323354D+02  0.208530D+01 -0.180925D+02
               301           302           303           304           305 
      1   0.188275D+01 -0.284989D+02  0.524104D+02 -0.114142D+02  0.958225D+01
      2  -0.820167D+00  0.410468D+02 -0.454528D+02 -0.266642D-01  0.461293D+02
      3  -0.106258D+01 -0.125479D+02 -0.695763D+01  0.114408D+02 -0.557115D+02
      4   0.364736D+02 -0.224119D+01  0.747918D+01  0.258732D+02 -0.111764D+01
      5  -0.107252D+02  0.317539D+01 -0.692090D+01 -0.328796D+02 -0.313585D+01
      6   0.106104D+02 -0.114831D+03  0.159114D+03 -0.182979D+02  0.583109D+02
               306           307           308           309           310 
      1  -0.562920D+02  0.255537D+00  0.264301D+01 -0.958887D+00  0.155128D+01
      2   0.155959D+02 -0.158382D+01 -0.501918D+01  0.142475D+01 -0.590732D+01
      3   0.406961D+02  0.132829D+01  0.237617D+01 -0.465863D+00  0.435604D+01
      4  -0.128928D+02  0.424172D+00 -0.553011D+01  0.454794D+01  0.973044D+01
      5   0.123125D+02 -0.170688D+00  0.172448D+01 -0.132829D+00 -0.171389D+01
      6  -0.223193D+03  0.342902D+01  0.300369D+01 -0.108282D+01  0.840155D+00
               311           312           313           314           315 
      1  -0.561790D+02  0.120402D+01  0.588057D-01 -0.826167D+01 -0.555225D+01
      2   0.145896D+03 -0.508333D+01 -0.791218D+00  0.338495D+02  0.779426D+01
      3  -0.897171D+02  0.387931D+01  0.732412D+00 -0.255878D+02 -0.224200D+01
      4  -0.855941D+01 -0.167646D-01  0.163125D+01 -0.312488D+00 -0.113548D+01
      5   0.325956D+00  0.445855D-02  0.133770D+01 -0.113452D+01  0.376033D+00
      6  -0.319852D+02  0.714457D+00 -0.110715D+01  0.112371D+02 -0.646756D+01
               316           317           318           319           320 
      1  -0.248699D+01 -0.586456D+01  0.848505D+01  0.856129D+00  0.855826D+01
      2  -0.686566D+01  0.220335D+00 -0.411113D+01  0.716162D+01 -0.806183D+02
      3   0.935265D+01  0.564422D+01 -0.437391D+01 -0.801775D+01  0.720600D+02
      4  -0.876118D+01  0.344246D+02 -0.381776D+02  0.805327D+01  0.341034D+01
      5   0.997597D+01 -0.298772D+02  0.501362D+02 -0.121840D+02 -0.127302D+01
      6  -0.492605D+02 -0.524285D+01  0.422635D+01  0.107078D+02 -0.145975D+02
               321           322           323           324           325 
      1   0.385611D+02  0.821550D+01  0.249073D+02  0.142363D+02  0.247724D+00
      2   0.628774D+02  0.328767D+01 -0.108621D+03  0.357669D+02  0.438859D+00
      3  -0.101439D+03 -0.115032D+02  0.837134D+02 -0.500031D+02 -0.686583D+00
      4   0.646531D+01 -0.400620D+02  0.153993D+01  0.828805D+01 -0.469273D+00
      5  -0.828981D+01  0.358968D+02  0.316507D+01 -0.100968D+02  0.566359D+00
      6   0.221142D+03  0.103363D+02  0.521457D+02  0.822987D+02  0.334944D+01
               326           327           328           329           330 
      1   0.481161D+01 -0.649924D+01  0.263999D+01 -0.315117D+02  0.316156D+02
      2  -0.109830D+01  0.153156D+00 -0.143357D+01  0.199322D+02 -0.150364D+02
      3  -0.371331D+01  0.634608D+01 -0.120642D+01  0.115796D+02 -0.165791D+02
      4  -0.138076D+01  0.314206D+01  0.518321D+01 -0.511320D+01  0.507263D+01
      5   0.204342D+01 -0.345060D+01 -0.392388D+01  0.497964D+01 -0.527169D+01
      6   0.936183D+01 -0.120894D+02  0.618499D+01 -0.586732D+02  0.593741D+02
               331           332           333           334           335 
      1  -0.410149D+01  0.376128D+02 -0.580722D+02  0.668530D+01  0.152981D+01
      2  -0.109310D+01 -0.412429D+01 -0.116501D+02 -0.243907D+02 -0.969380D+01
      3   0.519459D+01 -0.334885D+02  0.697223D+02  0.177054D+02  0.816399D+01
      4  -0.577183D+01  0.547159D+01 -0.784373D+01 -0.119616D+01  0.891644D+01
      5   0.842664D+01 -0.696739D+01  0.118609D+02  0.506780D+01 -0.117468D+02
      6  -0.985229D+01  0.721417D+02 -0.108776D+03 -0.268440D+02  0.154745D+01
               336           337           338           339           340 
      1   0.882945D+01  0.322662D+01 -0.239727D+02 -0.190339D+02  0.169843D+01
      2   0.483725D+01 -0.128891D+02  0.107656D+03 -0.107264D+03  0.371392D+01
      3  -0.136667D+02  0.966245D+01 -0.836833D+02  0.126298D+03 -0.541235D+01
      4  -0.294132D+02 -0.170535D+02 -0.508725D+01 -0.497417D+01 -0.952294D+00
      5   0.585307D+02  0.287307D+02  0.146483D+01  0.114502D+02  0.130912D+02
      6   0.183285D+02 -0.790383D+01 -0.388507D+02 -0.179779D+03  0.589097D+01
               341           342           343           344           345 
      1   0.302208D+02  0.120072D+02  0.983290D+00  0.403209D+00 -0.193522D+01
      2  -0.577247D+02  0.192743D+01 -0.129023D+01 -0.243534D+00 -0.173290D+01
      3   0.275039D+02 -0.139347D+02  0.306944D+00 -0.159675D+00  0.366812D+01
      4   0.281310D+01  0.699210D+01  0.512976D+00 -0.759211D+00  0.359654D+01
      5  -0.332601D+01 -0.684829D+01 -0.601270D+00  0.346100D+01 -0.548563D+01
      6   0.428441D+02  0.773688D+02  0.552870D+01  0.118066D+01 -0.767584D+00
               346           347           348           349           350 
      1  -0.116200D+00 -0.185228D+01 -0.481702D+01 -0.430604D+00 -0.150782D+01
      2  -0.121317D+01 -0.133004D+02 -0.205570D+02 -0.255156D+01 -0.122986D+02
      3   0.132937D+01  0.151527D+02  0.253740D+02  0.298217D+01  0.138064D+02
      4   0.969656D+00  0.733387D+00  0.944910D+00 -0.410839D+00  0.711115D+00
      5   0.279871D+01  0.483512D+00  0.152334D+01  0.653850D+01  0.365421D+00
      6   0.593889D+00  0.617955D+01  0.268046D+01 -0.112939D+01  0.860645D+01
               351 
      1  -0.182685D+02
      2  -0.416882D+02
      3   0.599567D+02
      4   0.952805D-01
      5   0.459669D+01
      6  -0.633659D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.219508D+01      0.557934D+01      0.186107D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z         -0.219508D+01     -0.557934D+01     -0.186107D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.253669D+03      0.375899D+02      0.418244D+02
   aniso      0.183455D+03      0.271853D+02      0.302477D+02
   xx         0.133442D+03      0.197740D+02      0.220016D+02
   yx        -0.865866D+01     -0.128308D+01     -0.142762D+01
   yy         0.296385D+03      0.439197D+02      0.488673D+02
   zx         0.000000D+00      0.000000D+00      0.000000D+00
   zy         0.000000D+00      0.000000D+00      0.000000D+00
   zz         0.331181D+03      0.490760D+02      0.546044D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.281427D+03      0.417032D+02      0.464011D+02
   aniso      0.208772D+03      0.309368D+02      0.344218D+02
   xx         0.148941D+03      0.220708D+02      0.245570D+02
   yx        -0.101532D+02     -0.150455D+01     -0.167404D+01
   yy         0.312159D+03      0.462572D+02      0.514681D+02
   zx         0.000000D+00      0.000000D+00      0.000000D+00
   zy         0.000000D+00      0.000000D+00      0.000000D+00
   zz         0.383181D+03      0.567816D+02      0.631781D+02

 ----------------------------------------------------------------------

 Dipole orientation:
    28          0.00000000         -0.00000000         -1.23304630
     7         -0.15664318         -2.89404942         -3.36279032
     7          0.06639553         -2.37889685          1.39216124
     7         -0.06639553          2.37889685          1.39216124
     7          0.15664318          2.89404942         -3.36279032
     6         -0.32957768         -3.56482471         -5.79546310
     1         -0.36016857         -2.17256710         -7.28293645
     6         -0.46614252         -6.21048475         -6.02064287
     1         -0.61539309         -7.25758578         -7.76094268
     6         -0.37378027         -7.19158898         -3.57424500
     1         -0.43324239         -9.15356312         -3.02723354
     6         -0.18340926         -5.10590771         -1.94816024
     6         -0.00000000         -4.72920025          0.68332686
     1          0.10697740         -6.28452989          2.01950874
     6          0.59831375         -1.32401204          3.87124381
     1          2.65407877         -1.04603900          3.98167751
     6         -0.23525201         -2.81712812          6.18258673
     1          0.63905435         -4.68614662          6.20208870
     1         -2.28281939         -3.10054924          6.11140641
     6          0.50494049         -1.35689895          8.57616675
     1          2.56859890         -1.31301384          8.71803038
     1         -0.17628877         -2.35816466         10.24659582
     6         -0.50494049          1.35689895          8.57616675
     1          0.17628877          2.35816466         10.24659582
     1         -2.56859890          1.31301384          8.71803038
     6          0.23525201          2.81712812          6.18258673
     1          2.28281939          3.10054924          6.11140641
     1         -0.63905435          4.68614662          6.20208870
     6         -0.59831375          1.32401204          3.87124381
     1         -2.65407877          1.04603900          3.98167751
     6         -0.00000000          4.72920025          0.68332686
     1         -0.10697740          6.28452989          2.01950874
     6          0.18340926          5.10590771         -1.94816024
     6          0.37378027          7.19158898         -3.57424500
     1          0.43324239          9.15356312         -3.02723354
     6          0.46614252          6.21048475         -6.02064287
     1          0.61539309          7.25758578         -7.76094268
     6          0.32957768          3.56482471         -5.79546310
     1          0.36016857          2.17256710         -7.28293645

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.219508D+01      0.557934D+01      0.186107D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.219508D+01      0.557934D+01      0.186107D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.253669D+03      0.375899D+02      0.418244D+02
   aniso      0.183455D+03      0.271853D+02      0.302477D+02
   xx         0.133442D+03      0.197740D+02      0.220016D+02
   yx         0.865866D+01      0.128308D+01      0.142762D+01
   yy         0.296385D+03      0.439197D+02      0.488673D+02
   zx         0.000000D+00      0.000000D+00      0.000000D+00
   zy         0.000000D+00      0.000000D+00      0.000000D+00
   zz         0.331181D+03      0.490760D+02      0.546044D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.281427D+03      0.417032D+02      0.464011D+02
   aniso      0.208772D+03      0.309368D+02      0.344218D+02
   xx         0.148941D+03      0.220708D+02      0.245570D+02
   yx         0.101532D+02      0.150455D+01      0.167404D+01
   yy         0.312159D+03      0.462572D+02      0.514681D+02
   zx         0.000000D+00      0.000000D+00      0.000000D+00
   zy         0.000000D+00      0.000000D+00      0.000000D+00
   zz         0.383181D+03      0.567816D+02      0.631781D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-34\Freq\RM11\Gen\C16H18N4Ni1\PIERPA\07-Sep-2021\0\\#P
  M11/Gen Integral=(UltraFineGrid) SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\Ni,0.,0.,0.652
 5\N,-0.082892,1.531465,1.779512\N,0.035135,1.258858,-0.7367\N,-0.03513
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 ,3.066827\H,-0.190593,1.149673,3.853964\C,-0.246672,3.286447,3.185987\
 H,-0.325652,3.840549,4.106914\C,-0.197796,3.805625,1.891409\H,-0.22926
 2,4.843857,1.601943\C,-0.097056,2.70193,1.030922\C,0.,2.502585,-0.3616
 01\H,0.05661,3.32563,-1.068678\C,0.316614,0.700637,-2.048574\H,1.40447
 8,0.55354,-2.107013\C,-0.12449,1.49076,-3.271684\H,0.338173,2.479802,-
 3.282004\H,-1.208016,1.64074,-3.234017\C,0.267203,0.71804,-4.538312\H,
 1.359244,0.694817,-4.613383\H,-0.093288,1.247887,-5.422265\C,-0.267203
 ,-0.71804,-4.538312\H,0.093288,-1.247887,-5.422265\H,-1.359244,-0.6948
 17,-4.613383\C,0.12449,-1.49076,-3.271684\H,1.208016,-1.64074,-3.23401
 7\H,-0.338173,-2.479802,-3.282004\C,-0.316614,-0.700637,-2.048574\H,-1
 .404478,-0.55354,-2.107013\C,0.,-2.502585,-0.361601\H,-0.05661,-3.3256
 3,-1.068678\C,0.097056,-2.70193,1.030922\C,0.197796,-3.805625,1.891409
 \H,0.229262,-4.843857,1.601943\C,0.246672,-3.286447,3.185987\H,0.32565
 2,-3.840549,4.106914\C,0.174405,-1.886424,3.066827\H,0.190593,-1.14967
 3,3.853964\\Version=ES64L-G16RevA.03\State=1-A\HF=-2348.3937412\RMSD=4
 .972e-09\RMSF=9.903e-06\ZeroPoint=0.3198289\Thermal=0.3367628\Dipole=0
 .,0.,-2.195081\DipoleDeriv=0.200184,0.0413882,0.0000002,-0.0284467,0.9
 821008,-0.0000001,0.,0.,0.3747123,-0.1496654,0.0159539,0.0022503,0.047
 9858,-0.7716667,-0.3948685,-0.0052971,-0.3618862,0.13086,-0.1675951,-0
 .1858116,-0.1984948,0.0784243,-0.9763239,-1.1107129,0.0304442,-0.19268
 35,-0.9720868,-0.1675951,-0.1858115,0.1984947,0.0784242,-0.976324,1.11
 07129,-0.0304442,0.1926835,-0.9720868,-0.1496654,0.0159541,-0.0022503,
 0.0479858,-0.7716667,0.3948685,0.0052972,0.3618862,0.1308599,-0.068178
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 9,-0.305336,0.1306268,-0.0023477,0.0102365,0.0000338,0.0155457,0.10426
 62,0.0055822,0.0540762,0.0141304,-0.2490526,0.0024739,-0.0153282,-0.04
 71899,-0.0071407,0.5609432,0.0171872,-0.1639453,-0.3924012,0.1656349,0
 .0089799,0.0149189,0.0111109,0.0176201,-0.0756108,0.016333,-0.0898393,
 -0.05151,-0.1655067,-0.0235082,-0.0624035,-0.0184259,0.008076,0.131208
 7,-0.0659849,0.2495262,0.7345405,0.1587266,0.0091007,0.0021359,0.00907
 32,-0.0738033,0.0214163,0.0024115,0.0596436,0.0767992,-0.0783589,0.050
 6412,0.1285924,-0.0065677,0.114085,-0.1185153,0.1032821,-0.7088579,-1.
 3556186,0.0613684,-0.0039019,-0.0117056,-0.0577764,0.910934,0.936485,-
 0.099564,0.7861962,1.3881425,0.1104582,-0.0261901,-0.0121554,-0.003771
 ,-0.0406618,0.1070739,0.0080424,0.0869337,0.0227319,0.2074544,0.104886
 4,0.0184511,-0.046886,0.1952021,0.2770803,-0.0479684,0.2048284,0.72388
 33,-0.1278961,0.0568812,0.1040169,0.0453634,-0.01981,-0.0771514,0.0131
 009,-0.1028961,-0.1562311,0.140961,-0.0099857,0.0393528,0.0295455,0.02
 8089,-0.065857,-0.0026511,-0.0216638,-0.0458095,0.0262739,-0.0747958,-
 0.0115139,-0.0510291,-0.1436979,0.0203903,-0.0089952,-0.0216654,0.0257
 523,-0.1280568,0.0407531,0.0003069,-0.0045197,0.0440838,0.0026354,0.03
 10067,-0.0055436,0.0011327,0.1430099,0.0027754,-0.0743766,-0.0156332,0
 .086141,0.0666539,0.0100858,-0.0170213,0.1040484,-0.1566704,-0.0196316
 ,0.0485629,0.0131027,0.0106412,-0.0403331,-0.0169124,-0.0198564,0.0444
 207,0.0463745,0.034085,-0.0680221,0.0185026,-0.0301687,0.0867627,-0.03
 11837,0.0740972,-0.1748049,0.1430099,0.0027755,0.0743767,-0.0156332,0.
 0861411,-0.0666538,-0.0100857,0.0170213,0.1040485,0.0463745,0.034085,0
 .0680221,0.0185026,-0.0301687,-0.0867627,0.0311837,-0.0740972,-0.17480
 5,-0.1566704,-0.0196316,-0.048563,0.0131028,0.0106412,0.0403331,0.0169
 124,0.0198564,0.0444207,0.140961,-0.0099858,-0.0393528,0.0295455,0.028
 0891,0.065857,0.0026511,0.0216638,-0.0458096,-0.1280568,0.0407532,-0.0
 003068,-0.0045197,0.0440838,-0.0026354,-0.0310067,0.0055436,0.0011327,
 0.0262739,-0.0747959,0.0115139,-0.0510292,-0.143698,-0.0203904,0.00899
 52,0.0216654,0.0257523,0.2074544,0.1048865,-0.0184511,-0.046886,0.1952
 021,-0.2770802,0.0479684,-0.2048285,0.7238833,-0.1278961,0.0568811,-0.
 1040169,0.0453634,-0.01981,0.0771514,-0.0131009,0.1028961,-0.156231,0.
 0613684,-0.0039019,0.0117056,-0.0577764,0.9109341,-0.9364849,0.099564,
 -0.7861963,1.3881425,0.1104582,-0.0261901,0.0121554,-0.003771,-0.04066
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 IF YOU WANT TO LEARN FROM THE THEORETICAL PHYSICISTS ABOUT THE
 METHODS WHICH THEY USE, I ADVISE YOU TO FOLLOW THIS PRINCIPLE VERY STRICTLY:
 DON'T LISTEN TO THEIR WORDS; PAY ATTENTION, INSTEAD, TO THEIR ACTIONS.
 -- A.EINSTEIN, 1934
 Job cpu time:       4 days 22 hours 59 minutes  4.9 seconds.
 Elapsed time:       0 days 14 hours 52 minutes 30.4 seconds.
 File lengths (MBytes):  RWF=   1287 Int=      0 D2E=      0 Chk=     41 Scr=      2
 Normal termination of Gaussian 16 at Tue Sep  7 02:24:50 2021.
